4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide

C13H15ClN4O2 — CID 4774010

IUPAC4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(C)n(NC(=O)c2c(Cl)c(C)nn2C)c(=O)c1
InChIInChI=1S/C13H15ClN4O2/c1-7-5-8(2)18(10(19)6-7)16-13(20)12-11(14)9(3)15-17(12)4/h5-6H,1-4H3,(H,16,20)
InChIKeyYNTIWGHPOIJYPH-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.54
Rot. Bonds2

About 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 4774010) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID4774010
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(C)n(NC(=O)c2c(Cl)c(C)nn2C)c(=O)c1
InChIInChI=1S/C13H15ClN4O2/c1-7-5-8(2)18(10(19)6-7)16-13(20)12-11(14)9(3)15-17(12)4/h5-6H,1-4H3,(H,16,20)
InChIKeyYNTIWGHPOIJYPH-UHFFFAOYSA-N
XLogP1.54
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbohydrazide
CID 593923
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid hydrazide
CID 15328377
4-chloro-1,3-dimethyl-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]pyrazole-5-carboxamide
CID 99948136
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)propanamide
CID 4773976
(4-Chloro-2,5-dimethylpyrazol-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 844639
[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
CID 4744945
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
CID 4774165
N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4862770
(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
CID 40442328
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
CID 40442329
4-chloro-1-methyl-N-[3-(2-oxopyridin-1(2H)-yl)propyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 119075123
(4-Chloro-1,5-dimethylpyrazol-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 844742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide (CID 4774010) is 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1cc(C)n(NC(=O)c2c(Cl)c(C)nn2C)c(=O)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YNTIWGHPOIJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7-5-8(2)18(10(19)6-7)16-13(20)12-11(14)9(3)15-17(12)4/h5-6H,1-4H3,(H,16,20).
What are the key properties of 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 4774010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).