N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide

C19H23F2N5O2 — CID 66978502

IUPACN-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1c(F)cccc1F)c1cn[nH]c1C(=O)NC1CCC(CN)CC1
InChIInChI=1S/C19H23F2N5O2/c1-26(19(28)16-13(20)3-2-4-14(16)21)15-10-23-25-17(15)18(27)24-12-7-5-11(9-22)6-8-12/h2-4,10-12H,5-9,22H2,1H3,(H,23,25)(H,24,27)
InChIKeyWNMLTEOVSJMKBF-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.21
Rot. Bonds5

About N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide

N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide (PubChem CID 66978502) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide
PubChem CID66978502
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1c(F)cccc1F)c1cn[nH]c1C(=O)NC1CCC(CN)CC1
InChIInChI=1S/C19H23F2N5O2/c1-26(19(28)16-13(20)3-2-4-14(16)21)15-10-23-25-17(15)18(27)24-12-7-5-11(9-22)6-8-12/h2-4,10-12H,5-9,22H2,1H3,(H,23,25)(H,24,27)
InChIKeyWNMLTEOVSJMKBF-UHFFFAOYSA-N
XLogP2.21
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide 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-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide
CID 70809851
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 24889469

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide (CID 66978502) is N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide is CN(C(=O)c1c(F)cccc1F)c1cn[nH]c1C(=O)NC1CCC(CN)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is WNMLTEOVSJMKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c1-26(19(28)16-13(20)3-2-4-14(16)21)15-10-23-25-17(15)18(27)24-12-7-5-11(9-22)6-8-12/h2-4,10-12H,5-9,22H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide?
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66978502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).