N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C17H15ClN4O3 — CID 99702123

IUPACN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)Nc3cc(Cl)c(=O)n(C)c3)n2)cc1
InChIInChI=1S/C17H15ClN4O3/c1-21-10-11(9-14(18)17(21)24)19-16(23)15-7-8-22(20-15)12-3-5-13(25-2)6-4-12/h3-10H,1-2H3,(H,19,23)
InChIKeyBWNCMESQWZJFSN-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.49
Rot. Bonds4

About N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide

N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 99702123) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID99702123
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)Nc3cc(Cl)c(=O)n(C)c3)n2)cc1
InChIInChI=1S/C17H15ClN4O3/c1-21-10-11(9-14(18)17(21)24)19-16(23)15-7-8-22(20-15)12-3-5-13(25-2)6-4-12/h3-10H,1-2H3,(H,19,23)
InChIKeyBWNCMESQWZJFSN-UHFFFAOYSA-N
XLogP2.49
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 5297390
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
N-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308364
N-(4-Methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 623858
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
4-bromo-1-ethyl-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 973635
1-(4-methoxyphenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 10938858
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431899
2-(4-methoxyphenyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135911556

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 99702123) is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(-n2ccc(C(=O)Nc3cc(Cl)c(=O)n(C)c3)n2)cc1.
What is the InChIKey of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is BWNCMESQWZJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-21-10-11(9-14(18)17(21)24)19-16(23)15-7-8-22(20-15)12-3-5-13(25-2)6-4-12/h3-10H,1-2H3,(H,19,23).
What are the key properties of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 99702123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).