2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide

C17H20F3N3O — CID 42686566

IUPAC2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(C)C
InChIInChI=1S/C17H20F3N3O/c1-4-5-13-15(21-16(24)10(2)3)14(23-22-13)11-6-8-12(9-7-11)17(18,19)20/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHBNBULSGRRSIEF-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.64
Rot. Bonds5

About 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide

2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide (PubChem CID 42686566) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide
PubChem CID42686566
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(C)C
InChIInChI=1S/C17H20F3N3O/c1-4-5-13-15(21-16(24)10(2)3)14(23-22-13)11-6-8-12(9-7-11)17(18,19)20/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHBNBULSGRRSIEF-UHFFFAOYSA-N
XLogP4.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide (CID 42686566) is 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide is CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
The InChIKey is HBNBULSGRRSIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-4-5-13-15(21-16(24)10(2)3)14(23-22-13)11-6-8-12(9-7-11)17(18,19)20/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide has a molecular weight of 339.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42686566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).