N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

C16H13FN4O — CID 35273830

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1cccnc1
InChIInChI=1S/C16H13FN4O/c17-14-6-2-1-4-13(14)11-21-9-7-15(20-21)19-16(22)12-5-3-8-18-10-12/h1-10H,11H2,(H,19,20,22)
InChIKeyIVLQYEJWODTLJL-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.72
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 35273830) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID35273830
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1cccnc1
InChIInChI=1S/C16H13FN4O/c17-14-6-2-1-4-13(14)11-21-9-7-15(20-21)19-16(22)12-5-3-8-18-10-12/h1-10H,11H2,(H,19,20,22)
InChIKeyIVLQYEJWODTLJL-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286071
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4867168
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286039
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19285860
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19285937
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19285871
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19285971
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871
5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 4076935
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (CID 35273830) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is O=C(Nc1ccn(Cc2ccccc2F)n1)c1cccnc1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is IVLQYEJWODTLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-14-6-2-1-4-13(14)11-21-9-7-15(20-21)19-16(22)12-5-3-8-18-10-12/h1-10H,11H2,(H,19,20,22).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 35273830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).