(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride

C16H20ClFN4O2 — CID 119380664

IUPAC(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCCC(N)C2)n1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-10-7-11(17)4-5-13(10)21-9-14(22)15(19-21)16(23)20-6-2-3-12(18)8-20;/h4-5,7,9,12,22H,2-3,6,8,18H2,1H3;1H
InChIKeyRADWJFXODKOWDX-UHFFFAOYSA-N
MW354.81 g/mol
LogP2.01
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride (PubChem CID 119380664) has the molecular formula C16H20ClFN4O2 and a molecular weight of 354.81 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
PubChem CID119380664
Molecular FormulaC16H20ClFN4O2
Molecular Weight354.81 g/mol
Exact Mass354.13
IUPAC Name(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCCC(N)C2)n1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-10-7-11(17)4-5-13(10)21-9-14(22)15(19-21)16(23)20-6-2-3-12(18)8-20;/h4-5,7,9,12,22H,2-3,6,8,18H2,1H3;1H
InChIKeyRADWJFXODKOWDX-UHFFFAOYSA-N
XLogP2.01
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
CID 119595810
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492285
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111912334
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545926
[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone
CID 166342227
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124594340
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119463429
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119378821
2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
CID 166244486

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride (CID 119380664) is (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride is Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCCC(N)C2)n1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride?
The InChIKey is RADWJFXODKOWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2.ClH/c1-10-7-11(17)4-5-13(10)21-9-14(22)15(19-21)16(23)20-6-2-3-12(18)8-20;/h4-5,7,9,12,22H,2-3,6,8,18H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride has a molecular weight of 354.81 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119380664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).