(3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone

C22H16N2O — CID 72944926

IUPAC(3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16N2O/c25-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(23-24-21)17-12-6-2-7-13-17/h1-15H,(H,23,24)
InChIKeyKLMDFYHXGLLGQR-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.97
Rot. Bonds4

About (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone

(3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone (PubChem CID 72944926) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone
PubChem CID72944926
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name(3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16N2O/c25-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(23-24-21)17-12-6-2-7-13-17/h1-15H,(H,23,24)
InChIKeyKLMDFYHXGLLGQR-UHFFFAOYSA-N
XLogP4.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone?
The IUPAC name of (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone (CID 72944926) is (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone.
What is the SMILES notation for (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone?
The canonical SMILES for (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone is O=C(c1ccccc1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone?
The InChIKey is KLMDFYHXGLLGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(23-24-21)17-12-6-2-7-13-17/h1-15H,(H,23,24).
What are the key properties of (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone?
(3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone has a molecular weight of 324.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diphenyl-1H-pyrazol-5-yl)-phenylmethanone is sourced from PubChem (CID 72944926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).