N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride

C19H26Cl2N4O — CID 119590571

IUPACN-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C19H25ClN4O.ClH/c1-13-17(12-24(23-13)16-9-7-15(20)8-10-16)19(25)22-18(11-21)14-5-3-2-4-6-14;/h7-10,12,14,18H,2-6,11,21H2,1H3,(H,22,25);1H
InChIKeyUIEBETOALFPTOG-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.89
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119590571) has the molecular formula C19H26Cl2N4O and a molecular weight of 397.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119590571
Molecular FormulaC19H26Cl2N4O
Molecular Weight397.35 g/mol
Exact Mass396.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C19H25ClN4O.ClH/c1-13-17(12-24(23-13)16-9-7-15(20)8-10-16)19(25)22-18(11-21)14-5-3-2-4-6-14;/h7-10,12,14,18H,2-6,11,21H2,1H3,(H,22,25);1H
InChIKeyUIEBETOALFPTOG-UHFFFAOYSA-N
XLogP3.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-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-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119612673
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 119592127
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119616799
N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119616115
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride (CID 119590571) is N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is UIEBETOALFPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O.ClH/c1-13-17(12-24(23-13)16-9-7-15(20)8-10-16)19(25)22-18(11-21)14-5-3-2-4-6-14;/h7-10,12,14,18H,2-6,11,21H2,1H3,(H,22,25);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 397.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119590571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).