2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide

C14H19ClF3N3O — CID 4771347

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-7(2)6-19-13(22)8(3)21-11(9-4-5-9)10(15)12(20-21)14(16,17)18/h7-9H,4-6H2,1-3H3,(H,19,22)
InChIKeyMOSQTVCQAZTWMT-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 4771347) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID4771347
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-7(2)6-19-13(22)8(3)21-11(9-4-5-9)10(15)12(20-21)14(16,17)18/h7-9H,4-6H2,1-3H3,(H,19,22)
InChIKeyMOSQTVCQAZTWMT-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide (CID 4771347) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is MOSQTVCQAZTWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-7(2)6-19-13(22)8(3)21-11(9-4-5-9)10(15)12(20-21)14(16,17)18/h7-9H,4-6H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 337.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 4771347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).