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

C18H13F4N3O — CID 19285210

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4N3O/c19-15-6-4-12(5-7-15)11-25-9-8-16(24-25)23-17(26)13-2-1-3-14(10-13)18(20,21)22/h1-10H,11H2,(H,23,24,26)
InChIKeyHAYITFGQZPPQPS-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.34
Rot. Bonds4

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 19285210) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID19285210
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4N3O/c19-15-6-4-12(5-7-15)11-25-9-8-16(24-25)23-17(26)13-2-1-3-14(10-13)18(20,21)22/h1-10H,11H2,(H,23,24,26)
InChIKeyHAYITFGQZPPQPS-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19407133
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285757
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19285184
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 167778844
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 19409804
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide (CID 19285210) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is HAYITFGQZPPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-15-6-4-12(5-7-15)11-25-9-8-16(24-25)23-17(26)13-2-1-3-14(10-13)18(20,21)22/h1-10H,11H2,(H,23,24,26).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 363.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 19285210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).