(2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone

C17H14N2O3 — CID 2414358

IUPAC(2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N2O3/c1-22-14-7-8-16(20)15(9-14)17(21)12-10-18-19(11-12)13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyNYCPIJIUSJOOEV-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.82
Rot. Bonds4

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

(2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 2414358) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID2414358
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N2O3/c1-22-14-7-8-16(20)15(9-14)17(21)12-10-18-19(11-12)13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyNYCPIJIUSJOOEV-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 2414358) is (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone is COc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is NYCPIJIUSJOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-14-7-8-16(20)15(9-14)17(21)12-10-18-19(11-12)13-5-3-2-4-6-13/h2-11,20H,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
(2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 294.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 2414358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).