(2-chlorophenyl)-pyrazol-1-ylmethanone

C10H7ClN2O — CID 674637

IUPAC(2-chlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccccc1Cl)n1cccn1
InChIInChI=1S/C10H7ClN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H
InChIKeyTXMCQTASHMXJQF-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.22
Rot. Bonds1

About (2-chlorophenyl)-pyrazol-1-ylmethanone

(2-chlorophenyl)-pyrazol-1-ylmethanone (PubChem CID 674637) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is (2-chlorophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-chlorophenyl)-pyrazol-1-ylmethanone
PubChem CID674637
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name(2-chlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccccc1Cl)n1cccn1
InChIInChI=1S/C10H7ClN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H
InChIKeyTXMCQTASHMXJQF-UHFFFAOYSA-N
XLogP2.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 4-chloro-1-(2-methylbenzoyl)-
CID 577102
4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
(3,4-dichlorophenyl)(1H-pyrazol-1-yl)methanone
CID 674628
4-chloro-1-(2-chlorobenzoyl)-1H-pyrazole
CID 674633
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
N-(2-chlorobenzyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 1225824
1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 785958
(4-bromo-1H-pyrazol-1-yl)(2-chloro-4,5-difluorophenyl)methanone
CID 674635
1-(4-Tert-butylbenzoyl)-4-chloro-1H-pyrazole
CID 674639
1-(2-chlorobenzoyl)-N-phenyl-1H-pyrazole-3-carboxamide
CID 3689692
4-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410821
1-[3-(2,4-dichlorophenyl)acryloyl]-1H-pyrazole
CID 5736966

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-chlorophenyl)-pyrazol-1-ylmethanone (CID 674637) is (2-chlorophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-chlorophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-chlorophenyl)-pyrazol-1-ylmethanone is O=C(c1ccccc1Cl)n1cccn1.
What is the InChIKey of (2-chlorophenyl)-pyrazol-1-ylmethanone?
The InChIKey is TXMCQTASHMXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H.
What are the key properties of (2-chlorophenyl)-pyrazol-1-ylmethanone?
(2-chlorophenyl)-pyrazol-1-ylmethanone has a molecular weight of 206.63 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 674637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).