3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide

C17H20F3N3O — CID 71916473

IUPAC3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(C(=O)CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O/c1-12(2)23(15-6-4-5-14(9-15)17(18,19)20)16(24)8-7-13-10-21-22(3)11-13/h4-6,9-12H,7-8H2,1-3H3
InChIKeyHUAHYHCPCYWBDE-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.81
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide

3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 71916473) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID71916473
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(C(=O)CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O/c1-12(2)23(15-6-4-5-14(9-15)17(18,19)20)16(24)8-7-13-10-21-22(3)11-13/h4-6,9-12H,7-8H2,1-3H3
InChIKeyHUAHYHCPCYWBDE-UHFFFAOYSA-N
XLogP3.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-[N-propan-2-yl-3-(trifluoromethyl)anilino]propanoic acid
CID 68509081
N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42342350
4-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 103023880
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
(E)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 31843271
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71854296
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47955967
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 99819653

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 71916473) is 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)N(C(=O)CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HUAHYHCPCYWBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-12(2)23(15-6-4-5-14(9-15)17(18,19)20)16(24)8-7-13-10-21-22(3)11-13/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 339.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 71916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).