(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone

C16H10Cl2N2O — CID 107330203

IUPAC(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H10Cl2N2O/c17-13-7-6-11(10-14(13)18)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10H
InChIKeyQKHDXNQLLCUMEA-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.41
Rot. Bonds3

About (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone

(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330203) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330203
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H10Cl2N2O/c17-13-7-6-11(10-14(13)18)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10H
InChIKeyQKHDXNQLLCUMEA-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330252
(3-amino-4-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
2-phenylpyrazole-3-carbothioamide
CID 83387115
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
CID 107330966
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone (CID 107330203) is (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is QKHDXNQLLCUMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-13-7-6-11(10-14(13)18)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10H.
What are the key properties of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone?
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 317.18 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).