N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide

C19H15ClF3N3O — CID 59547949

IUPACN-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccn(Cc2c(Cl)cccc2C(F)(F)F)n1
InChIInChI=1S/C19H15ClF3N3O/c1-12-5-2-3-6-13(12)18(27)24-17-9-10-26(25-17)11-14-15(19(21,22)23)7-4-8-16(14)20/h2-10H,11H2,1H3,(H,24,25,27)
InChIKeyZFYALKPTVRICQS-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.16
Rot. Bonds4

About N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide

N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 59547949) has the molecular formula C19H15ClF3N3O and a molecular weight of 393.80 g/mol. Its IUPAC name is N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID59547949
Molecular FormulaC19H15ClF3N3O
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC NameN-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccn(Cc2c(Cl)cccc2C(F)(F)F)n1
InChIInChI=1S/C19H15ClF3N3O/c1-12-5-2-3-6-13(12)18(27)24-17-9-10-26(25-17)11-14-15(19(21,22)23)7-4-8-16(14)20/h2-10H,11H2,1H3,(H,24,25,27)
InChIKeyZFYALKPTVRICQS-UHFFFAOYSA-N
XLogP5.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
1-(2-chlorophenyl)-2-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
CID 147334550
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19285590
2,6-dichloro-N-[1-[[2-(1,1-difluorobut-2-enyl)-6-fluorophenyl]methyl]pyrazol-3-yl]benzamide
CID 91044700
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19407133
4-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498683
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 59547908
2-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanylbenzamide
CID 19285625
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285757
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19407129

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide (CID 59547949) is N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccn(Cc2c(Cl)cccc2C(F)(F)F)n1.
What is the InChIKey of N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is ZFYALKPTVRICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O/c1-12-5-2-3-6-13(12)18(27)24-17-9-10-26(25-17)11-14-15(19(21,22)23)7-4-8-16(14)20/h2-10H,11H2,1H3,(H,24,25,27).
What are the key properties of N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide?
N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 393.80 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 59547949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).