N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C17H13F2N3O — CID 121084055

IUPACN-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13F2N3O/c18-13-7-6-12(14(19)8-13)10-20-17(23)16-9-15(21-22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyYIMCUXQZOVIQEL-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.28
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 121084055) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID121084055
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13F2N3O/c18-13-7-6-12(14(19)8-13)10-20-17(23)16-9-15(21-22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyYIMCUXQZOVIQEL-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
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
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 42691492
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
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
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 121084055) is N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(F)cc1F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YIMCUXQZOVIQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-13-7-6-12(14(19)8-13)10-20-17(23)16-9-15(21-22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).