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

C10H6Cl2N2O — CID 674633

IUPAC(2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone
SMILESO=C(c1ccccc1Cl)n1cc(Cl)cn1
InChIInChI=1S/C10H6Cl2N2O/c11-7-5-13-14(6-7)10(15)8-3-1-2-4-9(8)12/h1-6H
InChIKeyJPCNAVHGWAJRRU-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.88
Rot. Bonds1

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

(2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone (PubChem CID 674633) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone
PubChem CID674633
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name(2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone
SMILESO=C(c1ccccc1Cl)n1cc(Cl)cn1
InChIInChI=1S/C10H6Cl2N2O/c11-7-5-13-14(6-7)10(15)8-3-1-2-4-9(8)12/h1-6H
InChIKeyJPCNAVHGWAJRRU-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone (CID 674633) is (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone is O=C(c1ccccc1Cl)n1cc(Cl)cn1.
What is the InChIKey of (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone?
The InChIKey is JPCNAVHGWAJRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-7-5-13-14(6-7)10(15)8-3-1-2-4-9(8)12/h1-6H.
What are the key properties of (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone?
(2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone has a molecular weight of 241.08 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-chloropyrazol-1-yl)methanone is sourced from PubChem (CID 674633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).