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

C12H17ClF3N3O — CID 19554152

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NCC(C)C
InChIInChI=1S/C12H17ClF3N3O/c1-7(2)6-17-9(20)4-5-19-8(3)10(13)11(18-19)12(14,15)16/h7H,4-6H2,1-3H3,(H,17,20)
InChIKeyJNGHBBCKWSZSDE-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.03
Rot. Bonds5

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

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 19554152) has the molecular formula C12H17ClF3N3O and a molecular weight of 311.74 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID19554152
Molecular FormulaC12H17ClF3N3O
Molecular Weight311.74 g/mol
Exact Mass311.10
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NCC(C)C
InChIInChI=1S/C12H17ClF3N3O/c1-7(2)6-17-9(20)4-5-19-8(3)10(13)11(18-19)12(14,15)16/h7H,4-6H2,1-3H3,(H,17,20)
InChIKeyJNGHBBCKWSZSDE-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide (CID 19554152) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NCC(C)C.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is JNGHBBCKWSZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3O/c1-7(2)6-17-9(20)4-5-19-8(3)10(13)11(18-19)12(14,15)16/h7H,4-6H2,1-3H3,(H,17,20).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 311.74 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 19554152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).