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

C16H22ClF3N4O — CID 4770913

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(C)CC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H22ClF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25)
InChIKeyNOZVXLSKZXQRAB-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.20
Rot. Bonds4

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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 4770913) has the molecular formula C16H22ClF3N4O and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID4770913
Molecular FormulaC16H22ClF3N4O
Molecular Weight378.83 g/mol
Exact Mass378.14
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(C)CC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H22ClF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25)
InChIKeyNOZVXLSKZXQRAB-UHFFFAOYSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.20
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-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 4770913) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is CC(C(=O)NC1CCN(C)CC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is NOZVXLSKZXQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 378.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4770913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).