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

C11H15ClF3N3O — CID 4772551

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC(C)C
InChIInChI=1S/C11H15ClF3N3O/c1-5(2)16-10(19)7(4)18-6(3)8(12)9(17-18)11(13,14)15/h5,7H,1-4H3,(H,16,19)
InChIKeyBBQMYISMCDKLQR-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.95
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 4772551) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID4772551
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC(C)C
InChIInChI=1S/C11H15ClF3N3O/c1-5(2)16-10(19)7(4)18-6(3)8(12)9(17-18)11(13,14)15/h5,7H,1-4H3,(H,16,19)
InChIKeyBBQMYISMCDKLQR-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.95
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-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide (CID 4772551) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC(C)C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is BBQMYISMCDKLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-5(2)16-10(19)7(4)18-6(3)8(12)9(17-18)11(13,14)15/h5,7H,1-4H3,(H,16,19).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 297.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 4772551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).