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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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).