1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H16F3N3O — CID 19477518

IUPAC1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1ccccc1
InChIInChI=1S/C15H16F3N3O/c1-3-11(10-7-5-4-6-8-10)19-14(22)12-9-13(15(16,17)18)20-21(12)2/h4-9,11H,3H2,1-2H3,(H,19,22)
InChIKeyCLAJGBLCORZADA-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.32
Rot. Bonds4

About 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19477518) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19477518
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1ccccc1
InChIInChI=1S/C15H16F3N3O/c1-3-11(10-7-5-4-6-8-10)19-14(22)12-9-13(15(16,17)18)20-21(12)2/h4-9,11H,3H2,1-2H3,(H,19,22)
InChIKeyCLAJGBLCORZADA-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125161813
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
CID 19566440
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1S)-1-[3-(benzylamino)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166099640
1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 170310986
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19477518) is 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1ccccc1.
What is the InChIKey of 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CLAJGBLCORZADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-3-11(10-7-5-4-6-8-10)19-14(22)12-9-13(15(16,17)18)20-21(12)2/h4-9,11H,3H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19477518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).