KDM5A-IN-1

CAT: 0127-BUP22009Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP22009Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1905481-36-8

MDL Number

MFCD29924745

Purity

=98%

Smiles

CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1

Chemical Information

Kdm5A-IN-1

CAS Number	1905481-36-8
PubChem CID	119081409
IUPAC Name	N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
Molecular Formula	C15H22N4O2
Molecular Weight	290.36
XLogP	1.1
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	422

SMILES

CC(C)C1=CC(=NN1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3

InChI

InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1

InChIKey

CXEXTVGTDZRKJS-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 1905481-36-8

CID: 119081409

Formula: C15H22N4O2

MW: 290.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.36
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	290.17427596
Monoisotopic Mass	290.17427596
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	422
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
BUP04231-01	KDM5-IN-1
BUP09622-01	KDM2A/7A-IN-1
BUP01120-01	KDM1A-IN-29
BUP12620-01	1,1,1,1-Kestohexaose
BUP12982-01	KDM5-C70
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane