N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride

C16H29ClN4O — CID 119591594

IUPACN-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)NC(CN)C2CCCCC2)n[nH]1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-16(2,3)14-9-12(19-20-14)15(21)18-13(10-17)11-7-5-4-6-8-11;/h9,11,13H,4-8,10,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyIHXFVVFTNWQIAB-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.77
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119591594) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119591594
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)NC(CN)C2CCCCC2)n[nH]1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-16(2,3)14-9-12(19-20-14)15(21)18-13(10-17)11-7-5-4-6-8-11;/h9,11,13H,4-8,10,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyIHXFVVFTNWQIAB-UHFFFAOYSA-N
XLogP2.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride 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-(2-amino-1-cyclopropylethyl)-5-ethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119617013
N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119613012
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
N-(2-amino-1-cyclopentylethyl)-5-tert-butyl-1H-1,2,4-triazole-3-carboxamide
CID 106737647
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119590933
N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 175943351
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 115309300
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991
N-(2-amino-1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 106737632
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119616778

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119591594) is N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)(C)c1cc(C(=O)NC(CN)C2CCCCC2)n[nH]1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is IHXFVVFTNWQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-16(2,3)14-9-12(19-20-14)15(21)18-13(10-17)11-7-5-4-6-8-11;/h9,11,13H,4-8,10,17H2,1-3H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119591594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).