(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone

C19H18N2O2 — CID 902212

IUPAC(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCC(C)c1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H18N2O2/c1-13(2)14-8-9-18(22)17(10-14)19(23)15-11-20-21(12-15)16-6-4-3-5-7-16/h3-13,22H,1-2H3
InChIKeyVOGMBBCSRCZFFD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.93
Rot. Bonds4

About (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone

(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 902212) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID902212
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCC(C)c1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H18N2O2/c1-13(2)14-8-9-18(22)17(10-14)19(23)15-11-20-21(12-15)16-6-4-3-5-7-16/h3-13,22H,1-2H3
InChIKeyVOGMBBCSRCZFFD-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone
CID 42882744
4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid
CID 25494865
(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone
CID 43463435
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 43144160
(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
3-(4-propan-2-ylpyrazol-1-yl)benzoic acid
CID 84793615
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 902212) is (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone is CC(C)c1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is VOGMBBCSRCZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(2)14-8-9-18(22)17(10-14)19(23)15-11-20-21(12-15)16-6-4-3-5-7-16/h3-13,22H,1-2H3.
What are the key properties of (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone?
(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 902212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).