4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

C13H15N3O2 — CID 71973231

IUPAC4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1cccc(-n2cc(O)c(C(N)=O)n2)c1
InChIInChI=1S/C13H15N3O2/c1-8(2)9-4-3-5-10(6-9)16-7-11(17)12(15-16)13(14)18/h3-8,17H,1-2H3,(H2,14,18)
InChIKeyKECCFTJKPZBFCK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds3

About 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 71973231) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID71973231
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1cccc(-n2cc(O)c(C(N)=O)n2)c1
InChIInChI=1S/C13H15N3O2/c1-8(2)9-4-3-5-10(6-9)16-7-11(17)12(15-16)13(14)18/h3-8,17H,1-2H3,(H2,14,18)
InChIKeyKECCFTJKPZBFCK-UHFFFAOYSA-N
XLogP1.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 71973231) is 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is CC(C)c1cccc(-n2cc(O)c(C(N)=O)n2)c1.
What is the InChIKey of 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is KECCFTJKPZBFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)9-4-3-5-10(6-9)16-7-11(17)12(15-16)13(14)18/h3-8,17H,1-2H3,(H2,14,18).
What are the key properties of 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71973231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).