N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide

C18H17ClN4O2 — CID 167579005

IUPACN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
SMILESCn1c(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cc(=O)n1C
InChIInChI=1S/C18H17ClN4O2/c1-22-15(10-17(24)23(22)2)18(25)21-16-7-6-13(11-20-16)8-12-4-3-5-14(19)9-12/h3-7,9-11H,8H2,1-2H3,(H,20,21,25)
InChIKeyGXQKQXLYSHYKOJ-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.62
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide (PubChem CID 167579005) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
PubChem CID167579005
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
SMILESCn1c(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cc(=O)n1C
InChIInChI=1S/C18H17ClN4O2/c1-22-15(10-17(24)23(22)2)18(25)21-16-7-6-13(11-20-16)8-12-4-3-5-14(19)9-12/h3-7,9-11H,8H2,1-2H3,(H,20,21,25)
InChIKeyGXQKQXLYSHYKOJ-UHFFFAOYSA-N
XLogP2.62
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxo-2-[2-(2,2,2-trifluoroacetyl)hydrazinyl]acetamide
CID 139521647
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
N-[5-[(3-formylphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521639
N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521796
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 155700089
4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 167643635
1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
CID 167610347
sodium;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide;methanolate;methyl 6-(chloromethyl)pyridine-3-carboxylate;methyl 6-(hydroxymethyl)pyridine-3-carboxylate;methyl 6-(methoxymethyl)pyridine-3-carboxylate;thionyl dichloride
CID 167575567
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide (CID 167579005) is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide is Cn1c(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cc(=O)n1C.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide?
The InChIKey is GXQKQXLYSHYKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-22-15(10-17(24)23(22)2)18(25)21-16-7-6-13(11-20-16)8-12-4-3-5-14(19)9-12/h3-7,9-11H,8H2,1-2H3,(H,20,21,25).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide is sourced from PubChem (CID 167579005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).