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

C17H14FN3O — CID 17499235

IUPACN-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14FN3O/c18-14-9-5-4-8-13(14)11-19-17(22)16-10-15(20-21-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,22)(H,20,21)
InChIKeyXQABVGRMZFBJMK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.15
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 17499235) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID17499235
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14FN3O/c18-14-9-5-4-8-13(14)11-19-17(22)16-10-15(20-21-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,22)(H,20,21)
InChIKeyXQABVGRMZFBJMK-UHFFFAOYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 17499235) is N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XQABVGRMZFBJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-9-5-4-8-13(14)11-19-17(22)16-10-15(20-21-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,22)(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 17499235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).