(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone

C12H11ClN2O — CID 785958

IUPAC(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,1-2H3
InChIKeyIARJJCVPPPWSAK-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.84
Rot. Bonds1

About (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone

(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 785958) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID785958
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,1-2H3
InChIKeyIARJJCVPPPWSAK-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 785958) is (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2ccccc2Cl)n1.
What is the InChIKey of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is IARJJCVPPPWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,1-2H3.
What are the key properties of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 234.69 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 785958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).