(4-chlorophenyl)-pyrazol-1-ylmethanone

C10H7ClN2O — CID 4289053

IUPAC(4-chlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C10H7ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h1-7H
InChIKeyGTJZPRTULNTAOS-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.22
Rot. Bonds1

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

(4-chlorophenyl)-pyrazol-1-ylmethanone (PubChem CID 4289053) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is (4-chlorophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-pyrazol-1-ylmethanone
PubChem CID4289053
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name(4-chlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C10H7ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h1-7H
InChIKeyGTJZPRTULNTAOS-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

(4-ethoxyphenyl)-pyrazol-1-ylmethanone
CID 3502430
(4-chlorophenyl)-(4-pyridin-4-ylpyrazol-1-yl)methanone
CID 54519483
[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 4319372
(1-methylindazol-6-yl)-pyrazol-1-ylmethanone
CID 110475554
3-methylidene-6-(pyrazole-1-carbonyl)isoindol-1-one
CID 142323439
(4-chlorophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700276
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide
CID 131747485
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone
CID 15036821
(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 7150862
(4-chlorophenyl)-[(6R)-6-hydroxy-4-methyl-6-(pyrazol-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 95814707

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-chlorophenyl)-pyrazol-1-ylmethanone (CID 4289053) is (4-chlorophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-pyrazol-1-ylmethanone is O=C(c1ccc(Cl)cc1)n1cccn1.
What is the InChIKey of (4-chlorophenyl)-pyrazol-1-ylmethanone?
The InChIKey is GTJZPRTULNTAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h1-7H.
What are the key properties of (4-chlorophenyl)-pyrazol-1-ylmethanone?
(4-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 (4-chlorophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 4289053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).