N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H13FN4O — CID 166179922

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ncccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13FN4O/c17-12-7-4-8-18-15(12)10-19-16(22)14-9-13(20-21-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,22)(H,20,21)
InChIKeyDJEMORJAGHDWAW-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.54
Rot. Bonds4

About N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 166179922) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID166179922
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ncccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13FN4O/c17-12-7-4-8-18-15(12)10-19-16(22)14-9-13(20-21-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,22)(H,20,21)
InChIKeyDJEMORJAGHDWAW-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N-(3-hydroxy-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 18109569
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 166179922) is N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ncccc1F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is DJEMORJAGHDWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-7-4-8-18-15(12)10-19-16(22)14-9-13(20-21-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,22)(H,20,21).
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166179922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).