(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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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
CID 645025
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203
4-chloro-1,3-dimethyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 5410826
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-4-carbohydrazide
CID 6862523
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 9618019
N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 23723986
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078

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).