(4-chloropyrazol-1-yl)-(2-methylphenyl)methanone

C11H9ClN2O — CID 577102

IUPAC(4-chloropyrazol-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1cc(Cl)cn1
InChIInChI=1S/C11H9ClN2O/c1-8-4-2-3-5-10(8)11(15)14-7-9(12)6-13-14/h2-7H,1H3
InChIKeyLBFRMVGIANQWAQ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.53
Rot. Bonds1

About (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone

(4-chloropyrazol-1-yl)-(2-methylphenyl)methanone (PubChem CID 577102) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloropyrazol-1-yl)-(2-methylphenyl)methanone
PubChem CID577102
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(4-chloropyrazol-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1cc(Cl)cn1
InChIInChI=1S/C11H9ClN2O/c1-8-4-2-3-5-10(8)11(15)14-7-9(12)6-13-14/h2-7H,1H3
InChIKeyLBFRMVGIANQWAQ-UHFFFAOYSA-N
XLogP2.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone (CID 577102) is (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)n1cc(Cl)cn1.
What is the InChIKey of (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone?
The InChIKey is LBFRMVGIANQWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8-4-2-3-5-10(8)11(15)14-7-9(12)6-13-14/h2-7H,1H3.
What are the key properties of (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone?
(4-chloropyrazol-1-yl)-(2-methylphenyl)methanone has a molecular weight of 220.66 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrazol-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 577102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).