(2,6-dichlorophenyl)-pyrazol-1-ylmethanone

C10H6Cl2N2O — CID 903789

IUPAC(2,6-dichlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1c(Cl)cccc1Cl)n1cccn1
InChIInChI=1S/C10H6Cl2N2O/c11-7-3-1-4-8(12)9(7)10(15)14-6-2-5-13-14/h1-6H
InChIKeyNQTREZPYGVUPLC-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.88
Rot. Bonds1

About (2,6-dichlorophenyl)-pyrazol-1-ylmethanone

(2,6-dichlorophenyl)-pyrazol-1-ylmethanone (PubChem CID 903789) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-pyrazol-1-ylmethanone
PubChem CID903789
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name(2,6-dichlorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1c(Cl)cccc1Cl)n1cccn1
InChIInChI=1S/C10H6Cl2N2O/c11-7-3-1-4-8(12)9(7)10(15)14-6-2-5-13-14/h1-6H
InChIKeyNQTREZPYGVUPLC-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

[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
CID 3508753
3-(2,6-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
CID 609032
(2-methylphenyl)-pyrazol-1-ylmethanone
CID 685230
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
2,6-dichlorobenzamide;hydrochloride
CID 172775002
(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
CID 4592598
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
CID 11251659
CID 11251659
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone
CID 5058351
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
1-benzothiophen-3-yl(pyrazol-1-yl)methanone
CID 841465

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (2,6-dichlorophenyl)-pyrazol-1-ylmethanone (CID 903789) is (2,6-dichlorophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2,6-dichlorophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2,6-dichlorophenyl)-pyrazol-1-ylmethanone is O=C(c1c(Cl)cccc1Cl)n1cccn1.
What is the InChIKey of (2,6-dichlorophenyl)-pyrazol-1-ylmethanone?
The InChIKey is NQTREZPYGVUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-7-3-1-4-8(12)9(7)10(15)14-6-2-5-13-14/h1-6H.
What are the key properties of (2,6-dichlorophenyl)-pyrazol-1-ylmethanone?
(2,6-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 (2,6-dichlorophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 903789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).