(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone

C17H14ClN3O — CID 143373797

IUPAC(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone
SMILESCc1nn(C)cc1-c1ccc(C(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H14ClN3O/c1-11-15(10-21(2)20-11)16-8-5-13(9-19-16)17(22)12-3-6-14(18)7-4-12/h3-10H,1-2H3
InChIKeyZFFQPLPNVAFJKF-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.67
Rot. Bonds3

About (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone

(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone (PubChem CID 143373797) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone
PubChem CID143373797
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone
SMILESCc1nn(C)cc1-c1ccc(C(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H14ClN3O/c1-11-15(10-21(2)20-11)16-8-5-13(9-19-16)17(22)12-3-6-14(18)7-4-12/h3-10H,1-2H3
InChIKeyZFFQPLPNVAFJKF-UHFFFAOYSA-N
XLogP3.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone?
The IUPAC name of (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone (CID 143373797) is (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone is Cc1nn(C)cc1-c1ccc(C(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone?
The InChIKey is ZFFQPLPNVAFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-15(10-21(2)20-11)16-8-5-13(9-19-16)17(22)12-3-6-14(18)7-4-12/h3-10H,1-2H3.
What are the key properties of (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone?
(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone has a molecular weight of 311.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 143373797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).