N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine

C18H21N5 — CID 133386163

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H21N5/c1-13-18(21-17-9-5-4-8-16(17)20-13)19-12-14-10-11-23(22-14)15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H,19,21)
InChIKeyZVPBABBVKAYKKA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.86
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine (PubChem CID 133386163) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
PubChem CID133386163
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H21N5/c1-13-18(21-17-9-5-4-8-16(17)20-13)19-12-14-10-11-23(22-14)15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H,19,21)
InChIKeyZVPBABBVKAYKKA-UHFFFAOYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133385979
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133386213
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133386177
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 127939534
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine (CID 133386163) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine?
The InChIKey is ZVPBABBVKAYKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-18(21-17-9-5-4-8-16(17)20-13)19-12-14-10-11-23(22-14)15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H,19,21).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 133386163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).