N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide

C17H18F3N3O — CID 67653211

IUPACN-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide
SMILESCc1cccc(C(NC(=O)C2CC2)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C17H18F3N3O/c1-10-4-3-5-13(8-10)15(21-16(24)12-6-7-12)23-11(2)9-14(22-23)17(18,19)20/h3-5,8-9,12,15H,6-7H2,1-2H3,(H,21,24)
InChIKeyGPTXGZZCBJFYGI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.59
Rot. Bonds4

About N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide

N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide (PubChem CID 67653211) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide
PubChem CID67653211
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide
SMILESCc1cccc(C(NC(=O)C2CC2)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C17H18F3N3O/c1-10-4-3-5-13(8-10)15(21-16(24)12-6-7-12)23-11(2)9-14(22-23)17(18,19)20/h3-5,8-9,12,15H,6-7H2,1-2H3,(H,21,24)
InChIKeyGPTXGZZCBJFYGI-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 119338864
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 99970769
(2S)-N-(4-methylcyclohexyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51390590
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470
N-[benzotriazol-1-yl-(3-methylphenyl)methyl]acetamide
CID 3174355
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 19575574
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
CID 19566440

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide (CID 67653211) is N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide is Cc1cccc(C(NC(=O)C2CC2)n2nc(C(F)(F)F)cc2C)c1.
What is the InChIKey of N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide?
The InChIKey is GPTXGZZCBJFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10-4-3-5-13(8-10)15(21-16(24)12-6-7-12)23-11(2)9-14(22-23)17(18,19)20/h3-5,8-9,12,15H,6-7H2,1-2H3,(H,21,24).
What are the key properties of N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide?
N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 67653211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).