N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide

C16H16F3N3O — CID 51098823

IUPACN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnn(CC2CC2)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O/c1-10-8-20-22(9-11-6-7-11)14(10)21-15(23)12-4-2-3-5-13(12)16(17,18)19/h2-5,8,11H,6-7,9H2,1H3,(H,21,23)
InChIKeyPJNFWIFMOAOPBJ-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide

N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 51098823) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID51098823
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnn(CC2CC2)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O/c1-10-8-20-22(9-11-6-7-11)14(10)21-15(23)12-4-2-3-5-13(12)16(17,18)19/h2-5,8,11H,6-7,9H2,1H3,(H,21,23)
InChIKeyPJNFWIFMOAOPBJ-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide
CID 123675503
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
CID 170250393
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122356464
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide (CID 51098823) is N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide is Cc1cnn(CC2CC2)c1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is PJNFWIFMOAOPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10-8-20-22(9-11-6-7-11)14(10)21-15(23)12-4-2-3-5-13(12)16(17,18)19/h2-5,8,11H,6-7,9H2,1H3,(H,21,23).
What are the key properties of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide?
N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 323.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 51098823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).