(4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone

C11H10ClN3O — CID 1223927

IUPAC(4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
SMILESCc1nn(C(=O)c2ccncc2)c(C)c1Cl
InChIInChI=1S/C11H10ClN3O/c1-7-10(12)8(2)15(14-7)11(16)9-3-5-13-6-4-9/h3-6H,1-2H3
InChIKeyYCKMMEWZFSKOHG-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.24
Rot. Bonds1

About (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone

(4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone (PubChem CID 1223927) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
PubChem CID1223927
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
SMILESCc1nn(C(=O)c2ccncc2)c(C)c1Cl
InChIInChI=1S/C11H10ClN3O/c1-7-10(12)8(2)15(14-7)11(16)9-3-5-13-6-4-9/h3-6H,1-2H3
InChIKeyYCKMMEWZFSKOHG-UHFFFAOYSA-N
XLogP2.24
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone (CID 1223927) is (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone is Cc1nn(C(=O)c2ccncc2)c(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
The InChIKey is YCKMMEWZFSKOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-10(12)8(2)15(14-7)11(16)9-3-5-13-6-4-9/h3-6H,1-2H3.
What are the key properties of (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
(4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone has a molecular weight of 235.67 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 1223927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).