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

C16H22ClFN4O — CID 119665097

IUPACN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C16H21FN4O.ClH/c1-2-3-4-13(11-18)19-16(22)15-9-10-21(20-15)14-7-5-12(17)6-8-14;/h5-10,13H,2-4,11,18H2,1H3,(H,19,22);1H
InChIKeyGUNGHOCCUVJUSF-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.68
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119665097) has the molecular formula C16H22ClFN4O and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119665097
Molecular FormulaC16H22ClFN4O
Molecular Weight340.83 g/mol
Exact Mass340.15
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C16H21FN4O.ClH/c1-2-3-4-13(11-18)19-16(22)15-9-10-21(20-15)14-7-5-12(17)6-8-14;/h5-10,13H,2-4,11,18H2,1H3,(H,19,22);1H
InChIKeyGUNGHOCCUVJUSF-UHFFFAOYSA-N
XLogP2.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119667825
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CID 119666621
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239
N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride
CID 119667812
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
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CID 80698461
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride (CID 119665097) is N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1ccn(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is GUNGHOCCUVJUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O.ClH/c1-2-3-4-13(11-18)19-16(22)15-9-10-21(20-15)14-7-5-12(17)6-8-14;/h5-10,13H,2-4,11,18H2,1H3,(H,19,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 2.68, 7 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-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119665097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).