1- (4-Methoxybenzyl) pyrazole

CAT: 0024-sc-332964Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-332964Size:1 g

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CAS Number

145162-51-2

Chemical Information

1-(4-Methoxybenzyl)-1H-pyrazole

CAS Number	145162-51-2
PubChem CID	10241708
IUPAC Name	1-[(4-methoxyphenyl)methyl]pyrazole
Molecular Formula	C11H12N2O
Molecular Weight	188.23
XLogP	1.8
Topological Polar Surface Area	27.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	167

SMILES

COC1=CC=C(C=C1)CN2C=CC=N2

InChI

InChI=1S/C11H12N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-8H,9H2,1H3

InChIKey

DFJJBKFWYFQQIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145162-51-2

CID: 10241708

Formula: C11H12N2O

MW: 188.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.23
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	188.094963011
Monoisotopic Mass	188.094963011
Topological Polar Surface Area	27.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-222565A	1- (4-Methoxybenzyl) piperazine
sc-222565	1- (4-Methoxybenzyl) piperazine
sc-297526	1- (4-Methoxybenzyl) piperazinehydrochloride
sc-332962A	1- (4-methoxybenzyl) -1,4-diazepane
sc-350822	5-chloro-1- (3-methoxybenzyl) -3-methyl-1H-pyrazole-4-carbaldehyde
sc-350822A	5-chloro-1- (3-methoxybenzyl) -3-methyl-1H-pyrazole-4-carbaldehyde
sc-332962	1- (4-methoxybenzyl) -1,4-diazepane
sc-332961	1- (4-Methoxybenzyl) -1,2,4-triazole
sc-297527	1- (4-Methoxybenzyl) piperidin-4-one
sc-330064	N- (4-Methoxybenzyl) -1-butanamine

Catalog	Name
OR1098939-01	4-bromo-1- (4-methoxybenzyl) -1H-pyrazole
OR96371-01	4-Iodo-1- (4-methoxybenzyl) -1H-pyrazole
OR1045672-01	1- (4-Methoxybenzyl) -1H-pyrazole-4-carbaldehyde
OR1055551-01	Ethyl 1- (4-methoxybenzyl) -1H-pyrazole-4-carboxylate
FUB03993	1- (4-Methoxybenzyl) -1H-pyrazole-4-carboxylic acid
OR1095277-01	1- (3-methoxybenzyl) -4-nitro-1H-pyrazole
OR302080	1- (4-Methoxybenzyl) -4-bromo-5-nitro-1H-pyrazole
MXB86134-01	5-Amino-N- (4-methoxybenzyl) -1H-pyrazole-4-carboxamide
OR1049338-01	4-Bromo-1- (4-methoxybenzyl) -3-nitro-1H-pyrazole
OR1075203-01	5-Hydrazineyl-1- (4-methoxybenzyl) -1H-pyrazole dihydrochloride