1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide

C18H17ClN4O4S — CID 163255971

IUPAC1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)cc3=O)cc2)c1S(C)(=O)=O
InChIInChI=1S/C18H17ClN4O4S/c1-3-20-17(25)15-11-21-23(18(15)28(2,26)27)14-6-4-13(5-7-14)22-9-8-12(19)10-16(22)24/h4-11H,3H2,1-2H3,(H,20,25)
InChIKeyKOLKLFXTXBVVAX-UHFFFAOYSA-N
MW420.88 g/mol
LogP1.83
Rot. Bonds5

About 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide

1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide (PubChem CID 163255971) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide
PubChem CID163255971
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC Name1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)cc3=O)cc2)c1S(C)(=O)=O
InChIInChI=1S/C18H17ClN4O4S/c1-3-20-17(25)15-11-21-23(18(15)28(2,26)27)14-6-4-13(5-7-14)22-9-8-12(19)10-16(22)24/h4-11H,3H2,1-2H3,(H,20,25)
InChIKeyKOLKLFXTXBVVAX-UHFFFAOYSA-N
XLogP1.83
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-butanoyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chloropyridin-2-one
CID 163255916
1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163255890
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
CID 91236728
1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 120651600
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-(2-methylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163255931
1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
CID 90739672
1-(4-chlorophenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55693629
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91047147
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
5-chlorosulfonyl-1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 165485639
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide (CID 163255971) is 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide is CCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)cc3=O)cc2)c1S(C)(=O)=O.
What is the InChIKey of 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide?
The InChIKey is KOLKLFXTXBVVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c1-3-20-17(25)15-11-21-23(18(15)28(2,26)27)14-6-4-13(5-7-14)22-9-8-12(19)10-16(22)24/h4-11H,3H2,1-2H3,(H,20,25).
What are the key properties of 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide?
1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 163255971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).