N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide

C17H24N4O — CID 119666355

IUPACN-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O/c1-2-3-9-16(10-18)20-17(22)15-11-19-21(13-15)12-14-7-5-4-6-8-14/h4-8,11,13,16H,2-3,9-10,12,18H2,1H3,(H,20,22)
InChIKeyWMIBLLKWZZUTMI-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.18
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide

N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide (PubChem CID 119666355) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide
PubChem CID119666355
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O/c1-2-3-9-16(10-18)20-17(22)15-11-19-21(13-15)12-14-7-5-4-6-8-14/h4-8,11,13,16H,2-3,9-10,12,18H2,1H3,(H,20,22)
InChIKeyWMIBLLKWZZUTMI-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-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

(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
1-benzylpyrazole-4-carbohydrazide
CID 83386286
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119668466
1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide
CID 51646822

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide (CID 119666355) is N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide is CCCCC(CN)NC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide?
The InChIKey is WMIBLLKWZZUTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-9-16(10-18)20-17(22)15-11-19-21(13-15)12-14-7-5-4-6-8-14/h4-8,11,13,16H,2-3,9-10,12,18H2,1H3,(H,20,22).
What are the key properties of N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide?
N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 119666355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).