2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C17H13F2N3O — CID 17088846

IUPAC2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1F
InChIInChI=1S/C17H13F2N3O/c18-13-7-5-12(6-8-13)10-22-11-14(9-20-22)21-17(23)15-3-1-2-4-16(15)19/h1-9,11H,10H2,(H,21,23)
InChIKeyWPCLYPMGIPYQID-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.46
Rot. Bonds4

About 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 17088846) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID17088846
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1F
InChIInChI=1S/C17H13F2N3O/c18-13-7-5-12(6-8-13)10-22-11-14(9-20-22)21-17(23)15-3-1-2-4-16(15)19/h1-9,11H,10H2,(H,21,23)
InChIKeyWPCLYPMGIPYQID-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19409907
1-(1-benzylpyrazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
3-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 4112613
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 17088846) is 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is WPCLYPMGIPYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-13-7-5-12(6-8-13)10-22-11-14(9-20-22)21-17(23)15-3-1-2-4-16(15)19/h1-9,11H,10H2,(H,21,23).
What are the key properties of 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 313.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 17088846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).