N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119667825

IUPACN-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccn(-c2ccc(OC)cc2)n1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-3-4-5-13(12-18)19-17(22)16-10-11-21(20-16)14-6-8-15(23-2)9-7-14;/h6-11,13H,3-5,12,18H2,1-2H3,(H,19,22);1H
InChIKeyQIWQQDKSMPWCOF-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.55
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119667825) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119667825
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccn(-c2ccc(OC)cc2)n1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-3-4-5-13(12-18)19-17(22)16-10-11-21(20-16)14-6-8-15(23-2)9-7-14;/h6-11,13H,3-5,12,18H2,1-2H3,(H,19,22);1H
InChIKeyQIWQQDKSMPWCOF-UHFFFAOYSA-N
XLogP2.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119665097
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119608141
(2S)-2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361697
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 119575055
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride (CID 119667825) is N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1ccn(-c2ccc(OC)cc2)n1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is QIWQQDKSMPWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-3-4-5-13(12-18)19-17(22)16-10-11-21(20-16)14-6-8-15(23-2)9-7-14;/h6-11,13H,3-5,12,18H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119667825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).