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

C11H13ClF3N3O — CID 4770262

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CC1
InChIInChI=1S/C11H13ClF3N3O/c1-5-8(12)9(11(13,14)15)17-18(5)6(2)10(19)16-7-3-4-7/h6-7H,3-4H2,1-2H3,(H,16,19)
InChIKeyMDKFHXARKZFCQT-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.70
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide (PubChem CID 4770262) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide
PubChem CID4770262
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CC1
InChIInChI=1S/C11H13ClF3N3O/c1-5-8(12)9(11(13,14)15)17-18(5)6(2)10(19)16-7-3-4-7/h6-7H,3-4H2,1-2H3,(H,16,19)
InChIKeyMDKFHXARKZFCQT-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.70
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-cyclopropylpropanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide (CID 4770262) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
The InChIKey is MDKFHXARKZFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-5-8(12)9(11(13,14)15)17-18(5)6(2)10(19)16-7-3-4-7/h6-7H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropylpropanamide has a molecular weight of 295.69 g/mol, XLogP of 2.70, 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-cyclopropylpropanamide is sourced from PubChem (CID 4770262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).