(5-methyl-1H-pyrazol-4-yl)-phenylmethanone

C11H10N2O — CID 14868329

IUPAC(5-methyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESCc1[nH]ncc1C(=O)c1ccccc1
InChIInChI=1S/C11H10N2O/c1-8-10(7-12-13-8)11(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)
InChIKeyNPHMPIZGXCEOFT-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.95
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-phenylmethanone

(5-methyl-1H-pyrazol-4-yl)-phenylmethanone (PubChem CID 14868329) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-phenylmethanone
PubChem CID14868329
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESCc1[nH]ncc1C(=O)c1ccccc1
InChIInChI=1S/C11H10N2O/c1-8-10(7-12-13-8)11(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)
InChIKeyNPHMPIZGXCEOFT-UHFFFAOYSA-N
XLogP1.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-phenylmethanone (CID 14868329) is (5-methyl-1H-pyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-phenylmethanone is Cc1[nH]ncc1C(=O)c1ccccc1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
The InChIKey is NPHMPIZGXCEOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-10(7-12-13-8)11(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
(5-methyl-1H-pyrazol-4-yl)-phenylmethanone has a molecular weight of 186.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 14868329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).