[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone

C19H16N2O4 — CID 2116213

IUPAC[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1
InChIInChI=1S/C19H16N2O4/c1-12-3-8-17(22)16(9-12)18(23)14-10-20-21(11-14)19(24)13-4-6-15(25-2)7-5-13/h3-11,22H,1-2H3
InChIKeyGMJFDXNBQXPFQS-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.83
Rot. Bonds4

About [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone

[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 2116213) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID2116213
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1
InChIInChI=1S/C19H16N2O4/c1-12-3-8-17(22)16(9-12)18(23)14-10-20-21(11-14)19(24)13-4-6-15(25-2)7-5-13/h3-11,22H,1-2H3
InChIKeyGMJFDXNBQXPFQS-UHFFFAOYSA-N
XLogP2.83
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone (CID 2116213) is [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1.
What is the InChIKey of [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GMJFDXNBQXPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-3-8-17(22)16(9-12)18(23)14-10-20-21(11-14)19(24)13-4-6-15(25-2)7-5-13/h3-11,22H,1-2H3.
What are the key properties of [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone?
[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 336.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2116213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).