5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C17H15FN4O — CID 46104880

IUPAC5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccn2)cc1-c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c1-22-16(12-5-4-6-13(18)9-12)10-15(21-22)17(23)20-11-14-7-2-3-8-19-14/h2-10H,11H2,1H3,(H,20,23)
InChIKeyCSFWJXYMXMMVSM-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.55
Rot. Bonds4

About 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 46104880) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID46104880
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccn2)cc1-c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c1-22-16(12-5-4-6-13(18)9-12)10-15(21-22)17(23)20-11-14-7-2-3-8-19-14/h2-10H,11H2,1H3,(H,20,23)
InChIKeyCSFWJXYMXMMVSM-UHFFFAOYSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 42879090
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392445
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134796077
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265
1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818134
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 46104880) is 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccccn2)cc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is CSFWJXYMXMMVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-22-16(12-5-4-6-13(18)9-12)10-15(21-22)17(23)20-11-14-7-2-3-8-19-14/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).