(4-methoxyphenyl)-pyrazol-1-ylmethanone

C11H10N2O2 — CID 903267

IUPAC(4-methoxyphenyl)-pyrazol-1-ylmethanone
SMILESCOc1ccc(C(=O)n2cccn2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-5-3-9(4-6-10)11(14)13-8-2-7-12-13/h2-8H,1H3
InChIKeyVRLSMPKJDIYPNY-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.58
Rot. Bonds2

About (4-methoxyphenyl)-pyrazol-1-ylmethanone

(4-methoxyphenyl)-pyrazol-1-ylmethanone (PubChem CID 903267) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4-methoxyphenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-pyrazol-1-ylmethanone
PubChem CID903267
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(4-methoxyphenyl)-pyrazol-1-ylmethanone
SMILESCOc1ccc(C(=O)n2cccn2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-5-3-9(4-6-10)11(14)13-8-2-7-12-13/h2-8H,1H3
InChIKeyVRLSMPKJDIYPNY-UHFFFAOYSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-pyrazol-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-methoxyphenyl)-pyrazol-1-ylmethanone (CID 903267) is (4-methoxyphenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-methoxyphenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-methoxyphenyl)-pyrazol-1-ylmethanone is COc1ccc(C(=O)n2cccn2)cc1.
What is the InChIKey of (4-methoxyphenyl)-pyrazol-1-ylmethanone?
The InChIKey is VRLSMPKJDIYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-5-3-9(4-6-10)11(14)13-8-2-7-12-13/h2-8H,1H3.
What are the key properties of (4-methoxyphenyl)-pyrazol-1-ylmethanone?
(4-methoxyphenyl)-pyrazol-1-ylmethanone has a molecular weight of 202.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 903267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).