3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide

C17H12Cl2FN3O — CID 1224524

IUPAC3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2FN3O/c18-14-6-3-12(9-15(14)19)17(24)21-16-7-8-23(22-16)10-11-1-4-13(20)5-2-11/h1-9H,10H2,(H,21,22,24)
InChIKeySDEDQRQMMFKOCL-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.63
Rot. Bonds4

About 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide

3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 1224524) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID1224524
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2FN3O/c18-14-6-3-12(9-15(14)19)17(24)21-16-7-8-23(22-16)10-11-1-4-13(20)5-2-11/h1-9H,10H2,(H,21,22,24)
InChIKeySDEDQRQMMFKOCL-UHFFFAOYSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285165
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19399053
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19398919

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 1224524) is 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is SDEDQRQMMFKOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c18-14-6-3-12(9-15(14)19)17(24)21-16-7-8-23(22-16)10-11-1-4-13(20)5-2-11/h1-9H,10H2,(H,21,22,24).
What are the key properties of 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 364.21 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 1224524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).