N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide

C17H15ClN4O2 — CID 97157903

IUPACN-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1
InChIInChI=1S/C17H15ClN4O2/c1-11-10-22(15-6-4-3-5-13(15)18)21-16(11)20-17(23)14-9-12(24-2)7-8-19-14/h3-10H,1-2H3,(H,20,21,23)
InChIKeyXFVMDPQDEXWRPB-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide

N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide (PubChem CID 97157903) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide
PubChem CID97157903
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1
InChIInChI=1S/C17H15ClN4O2/c1-11-10-22(15-6-4-3-5-13(15)18)21-16(11)20-17(23)14-9-12(24-2)7-8-19-14/h3-10H,1-2H3,(H,20,21,23)
InChIKeyXFVMDPQDEXWRPB-UHFFFAOYSA-N
XLogP3.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide
CID 97157900
N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide
CID 166361838
N-[1-(2-chlorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
CID 122559882
N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 154750641
3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 126769236
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide (CID 97157903) is N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide?
The InChIKey is XFVMDPQDEXWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11-10-22(15-6-4-3-5-13(15)18)21-16(11)20-17(23)14-9-12(24-2)7-8-19-14/h3-10H,1-2H3,(H,20,21,23).
What are the key properties of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide?
N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 97157903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).