N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride

C17H24ClFN4O2 — CID 119667812

IUPACN-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccc(F)cc2C)cc1O.Cl
InChIInChI=1S/C17H23FN4O2.ClH/c1-3-4-5-13(9-19)20-17(24)16-15(23)10-22(21-16)14-7-6-12(18)8-11(14)2;/h6-8,10,13,23H,3-5,9,19H2,1-2H3,(H,20,24);1H
InChIKeyLJKCAJLZSUBAMY-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.69
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride (PubChem CID 119667812) has the molecular formula C17H24ClFN4O2 and a molecular weight of 370.86 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride
PubChem CID119667812
Molecular FormulaC17H24ClFN4O2
Molecular Weight370.86 g/mol
Exact Mass370.16
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccc(F)cc2C)cc1O.Cl
InChIInChI=1S/C17H23FN4O2.ClH/c1-3-4-5-13(9-19)20-17(24)16-15(23)10-22(21-16)14-7-6-12(18)8-11(14)2;/h6-8,10,13,23H,3-5,9,19H2,1-2H3,(H,20,24);1H
InChIKeyLJKCAJLZSUBAMY-UHFFFAOYSA-N
XLogP2.69
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119642881
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
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CID 71975746
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
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N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
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N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide
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N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 96533724
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
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N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride (CID 119667812) is N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1nn(-c2ccc(F)cc2C)cc1O.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride?
The InChIKey is LJKCAJLZSUBAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2.ClH/c1-3-4-5-13(9-19)20-17(24)16-15(23)10-22(21-16)14-7-6-12(18)8-11(14)2;/h6-8,10,13,23H,3-5,9,19H2,1-2H3,(H,20,24);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride has a molecular weight of 370.86 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119667812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).