(3,4-dichlorophenyl)-pyrazol-1-ylmethanone

C10H6Cl2N2O — CID 674628

IUPAC(3,4-dichlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)n1cccn1
InChIInChI=1S/C10H6Cl2N2O/c11-8-3-2-7(6-9(8)12)10(15)14-5-1-4-13-14/h1-6H
InChIKeyPPOZMMBGUFTQOQ-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.88
Rot. Bonds1

About (3,4-dichlorophenyl)-pyrazol-1-ylmethanone

(3,4-dichlorophenyl)-pyrazol-1-ylmethanone (PubChem CID 674628) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-pyrazol-1-ylmethanone
PubChem CID674628
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name(3,4-dichlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)n1cccn1
InChIInChI=1S/C10H6Cl2N2O/c11-8-3-2-7(6-9(8)12)10(15)14-5-1-4-13-14/h1-6H
InChIKeyPPOZMMBGUFTQOQ-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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Related Compounds

Pyrazole, 4-chloro-1-(2-methylbenzoyl)-
CID 577102
4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
4-chloro-1-(2-chlorobenzoyl)-1H-pyrazole
CID 674633
1-(3,4-Dichlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 599596
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone
CID 674655
4-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410821
1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole
CID 5736957
1-[3-(2,4-dichlorophenyl)acryloyl]-1H-pyrazole
CID 5736966
(2-Chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone
CID 747176
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 1246886
1-(2-chlorobenzoyl)-1H-pyrazole
CID 674637
1-(4-Chlorophenyl)-2-(1H-pyrazol-1-yl)ethanone
CID 43798058

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (3,4-dichlorophenyl)-pyrazol-1-ylmethanone (CID 674628) is (3,4-dichlorophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3,4-dichlorophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3,4-dichlorophenyl)-pyrazol-1-ylmethanone is O=C(c1ccc(Cl)c(Cl)c1)n1cccn1.
What is the InChIKey of (3,4-dichlorophenyl)-pyrazol-1-ylmethanone?
The InChIKey is PPOZMMBGUFTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-8-3-2-7(6-9(8)12)10(15)14-5-1-4-13-14/h1-6H.
What are the key properties of (3,4-dichlorophenyl)-pyrazol-1-ylmethanone?
(3,4-dichlorophenyl)-pyrazol-1-ylmethanone 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 (3,4-dichlorophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 674628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).