1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide

C19H24N4O3 — CID 71874127

IUPAC1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C19H24N4O3/c1-12(2)13-3-5-15(6-4-13)23-11-16(24)17(21-23)19(26)22-9-7-14(8-10-22)18(20)25/h3-6,11-12,14,24H,7-10H2,1-2H3,(H2,20,25)
InChIKeyBXAXJNSOQPSEKF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide

1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 71874127) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
PubChem CID71874127
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C19H24N4O3/c1-12(2)13-3-5-15(6-4-13)23-11-16(24)17(21-23)19(26)22-9-7-14(8-10-22)18(20)25/h3-6,11-12,14,24H,7-10H2,1-2H3,(H2,20,25)
InChIKeyBXAXJNSOQPSEKF-UHFFFAOYSA-N
XLogP2.04
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71458888
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 45893452
4-methoxy-N-[3-(3-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 45893810
[4-Hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
CID 56795377
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide
CID 71860175
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 71873821
4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 71873847
4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 71873869
(3-Ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
CID 71878917

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide (CID 71874127) is 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide is CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is BXAXJNSOQPSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)13-3-5-15(6-4-13)23-11-16(24)17(21-23)19(26)22-9-7-14(8-10-22)18(20)25/h3-6,11-12,14,24H,7-10H2,1-2H3,(H2,20,25).
What are the key properties of 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide?
1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 71874127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).