3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

C17H16N4O2 — CID 100830411

IUPAC3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-23-16-10-15(21(20-16)14-7-3-2-4-8-14)17(22)19-12-13-6-5-9-18-11-13/h2-11H,12H2,1H3,(H,19,22)
InChIKeyXKIFIKWSZZTQFL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.21
Rot. Bonds5

About 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 100830411) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID100830411
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-23-16-10-15(21(20-16)14-7-3-2-4-8-14)17(22)19-12-13-6-5-9-18-11-13/h2-11H,12H2,1H3,(H,19,22)
InChIKeyXKIFIKWSZZTQFL-UHFFFAOYSA-N
XLogP2.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
CID 100830431
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4215643
N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830430

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (CID 100830411) is 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is COc1cc(C(=O)NCc2cccnc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is XKIFIKWSZZTQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-16-10-15(21(20-16)14-7-3-2-4-8-14)17(22)19-12-13-6-5-9-18-11-13/h2-11H,12H2,1H3,(H,19,22).
What are the key properties of 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 100830411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).