N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

C19H16F3N3O — CID 66770627

IUPACN-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3ccccc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c1-13-7-8-15(16(11-13)19(20,21)22)12-25-10-9-17(24-25)23-18(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,26)
InChIKeyNERQUKWRPPFAFZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.51
Rot. Bonds4

About N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (PubChem CID 66770627) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
PubChem CID66770627
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3ccccc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c1-13-7-8-15(16(11-13)19(20,21)22)12-25-10-9-17(24-25)23-18(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,26)
InChIKeyNERQUKWRPPFAFZ-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
CID 68643513
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
CID 59547925
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
CID 59547986
CID 66770876
CID 66770876
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
disodium;[4-[[3-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]methyl]-3-(trifluoromethyl)phenyl] dihydrogen phosphate;hydride
CID 173016525
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 59547908

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (CID 66770627) is N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is Cc1ccc(Cn2ccc(NC(=O)c3ccccc3)n2)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The InChIKey is NERQUKWRPPFAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-13-7-8-15(16(11-13)19(20,21)22)12-25-10-9-17(24-25)23-18(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,26).
What are the key properties of N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide has a molecular weight of 359.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 66770627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).