FPR Agonist 43

CAT: 0127-BUP05360-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05360-01Size:1 mg

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CAS Number

903895-98-7

Purity

=98%

Smiles

CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C

Chemical Information

3-(4-Chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea

CAS Number	903895-98-7
PubChem CID	24776341
IUPAC Name	1-(4-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
Molecular Formula	C20H21ClN4O2
Molecular Weight	384.9
XLogP	4.1
Topological Polar Surface Area	64.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	593

SMILES

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)

InChIKey

PAEBEUZTAPIOIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 903895-98-7

CID: 24776341

Formula: C20H21ClN4O2

MW: 384.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.9
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	384.1353036
Monoisotopic Mass	384.1353036
Topological Polar Surface Area	64.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	593
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

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