1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C17H22ClFN4O2 — CID 119463429

IUPAC1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2CCCNC2)n1.Cl
InChIInChI=1S/C17H21FN4O2.ClH/c1-11-7-13(18)4-5-14(11)22-10-15(23)16(21-22)17(24)20-9-12-3-2-6-19-8-12;/h4-5,7,10,12,19,23H,2-3,6,8-9H2,1H3,(H,20,24);1H
InChIKeyLLKKDZADVOORIV-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119463429) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119463429
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2CCCNC2)n1.Cl
InChIInChI=1S/C17H21FN4O2.ClH/c1-11-7-13(18)4-5-14(11)22-10-15(23)16(21-22)17(24)20-9-12-3-2-6-19-8-12;/h4-5,7,10,12,19,23H,2-3,6,8-9H2,1H3,(H,20,24);1H
InChIKeyLLKKDZADVOORIV-UHFFFAOYSA-N
XLogP2.18
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119464684
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
CID 111911950
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545926
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
CID 166244486
N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119498479
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492285
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119459876

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 119463429) is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2CCCNC2)n1.Cl.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is LLKKDZADVOORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2.ClH/c1-11-7-13(18)4-5-14(11)22-10-15(23)16(21-22)17(24)20-9-12-3-2-6-19-8-12;/h4-5,7,10,12,19,23H,2-3,6,8-9H2,1H3,(H,20,24);1H.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119463429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).