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

C13H19ClF3N5O — CID 4769516

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H19ClF3N5O/c1-8-10(14)11(13(15,16)17)18-22(8)9(2)12(23)19-21-6-4-20(3)5-7-21/h9H,4-7H2,1-3H3,(H,19,23)
InChIKeyJMTLUGIDYSXCOU-UHFFFAOYSA-N
MW353.78 g/mol
LogP1.70
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 4769516) has the molecular formula C13H19ClF3N5O and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID4769516
Molecular FormulaC13H19ClF3N5O
Molecular Weight353.78 g/mol
Exact Mass353.12
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H19ClF3N5O/c1-8-10(14)11(13(15,16)17)18-22(8)9(2)12(23)19-21-6-4-20(3)5-7-21/h9H,4-7H2,1-3H3,(H,19,23)
InChIKeyJMTLUGIDYSXCOU-UHFFFAOYSA-N
XLogP1.70
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide (CID 4769516) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is JMTLUGIDYSXCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N5O/c1-8-10(14)11(13(15,16)17)18-22(8)9(2)12(23)19-21-6-4-20(3)5-7-21/h9H,4-7H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 353.78 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4769516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).