(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

C12H10Cl2N2O — CID 115809410

IUPAC(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2c(Cl)cnn2C)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-3-4-8(5-9(7)13)12(17)11-10(14)6-15-16(11)2/h3-6H,1-2H3
InChIKeyQBPJEVANHGCOEH-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.27
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (PubChem CID 115809410) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
PubChem CID115809410
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2c(Cl)cnn2C)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-3-4-8(5-9(7)13)12(17)11-10(14)6-15-16(11)2/h3-6H,1-2H3
InChIKeyQBPJEVANHGCOEH-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 114638889
(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115809281
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642305
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 107984639
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
CID 105132583

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (CID 115809410) is (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is Cc1ccc(C(=O)c2c(Cl)cnn2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The InChIKey is QBPJEVANHGCOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-3-4-8(5-9(7)13)12(17)11-10(14)6-15-16(11)2/h3-6H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone has a molecular weight of 269.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 115809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).