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

C14H20ClF3N4O — CID 19575395

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C14H20ClF3N4O/c1-8-11(15)12(14(16,17)18)20-22(8)9(2)13(23)19-10-4-6-21(3)7-5-10/h9-10H,4-7H2,1-3H3,(H,19,23)
InChIKeyFRMZPPMWIIENBF-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.64
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 19575395) has the molecular formula C14H20ClF3N4O and a molecular weight of 352.79 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID19575395
Molecular FormulaC14H20ClF3N4O
Molecular Weight352.79 g/mol
Exact Mass352.13
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C14H20ClF3N4O/c1-8-11(15)12(14(16,17)18)20-22(8)9(2)13(23)19-10-4-6-21(3)7-5-10/h9-10H,4-7H2,1-3H3,(H,19,23)
InChIKeyFRMZPPMWIIENBF-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 19575395) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is FRMZPPMWIIENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N4O/c1-8-11(15)12(14(16,17)18)20-22(8)9(2)13(23)19-10-4-6-21(3)7-5-10/h9-10H,4-7H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 352.79 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 19575395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).