N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride

C16H23ClN4O — CID 119588721

IUPACN-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccn(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-12(2)10-13(11-17)18-16(21)15-8-9-20(19-15)14-6-4-3-5-7-14;/h3-9,12-13H,10-11,17H2,1-2H3,(H,18,21);1H
InChIKeyUMKUZPVXIQBJFA-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.40
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119588721) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
PubChem CID119588721
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccn(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-12(2)10-13(11-17)18-16(21)15-8-9-20(19-15)14-6-4-3-5-7-14;/h3-9,12-13H,10-11,17H2,1-2H3,(H,18,21);1H
InChIKeyUMKUZPVXIQBJFA-UHFFFAOYSA-N
XLogP2.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119586641
N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 119588205
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
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CID 43428002
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119665097
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119667825

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride (CID 119588721) is N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccn(-c2ccccc2)n1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is UMKUZPVXIQBJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-12(2)10-13(11-17)18-16(21)15-8-9-20(19-15)14-6-4-3-5-7-14;/h3-9,12-13H,10-11,17H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119588721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).