N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride

C19H28Cl2N4O — CID 119665355

IUPACN-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C.Cl
InChIInChI=1S/C19H27ClN4O.ClH/c1-4-5-9-16(11-21)22-19(25)18-13(2)23-24(14(18)3)12-15-8-6-7-10-17(15)20;/h6-8,10,16H,4-5,9,11-12,21H2,1-3H3,(H,22,25);1H
InChIKeyUVSSDMPSNNDIGO-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.87
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119665355) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119665355
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC NameN-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C.Cl
InChIInChI=1S/C19H27ClN4O.ClH/c1-4-5-9-16(11-21)22-19(25)18-13(2)23-24(14(18)3)12-15-8-6-7-10-17(15)20;/h6-8,10,16H,4-5,9,11-12,21H2,1-3H3,(H,22,25);1H
InChIKeyUVSSDMPSNNDIGO-UHFFFAOYSA-N
XLogP3.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 2121968
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CID 134045694
(2R)-2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119243799
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
1-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 8839325
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 8713967
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2451343
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2640008

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride (CID 119665355) is N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is UVSSDMPSNNDIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O.ClH/c1-4-5-9-16(11-21)22-19(25)18-13(2)23-24(14(18)3)12-15-8-6-7-10-17(15)20;/h6-8,10,16H,4-5,9,11-12,21H2,1-3H3,(H,22,25);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.87, 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-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119665355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).