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

C14H18ClF3N4O2 — CID 4768372

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
SMILESCC(C(=O)NN1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H18ClF3N4O2/c1-8(13(23)20-21-4-6-24-7-5-21)22-11(9-2-3-9)10(15)12(19-22)14(16,17)18/h8-9H,2-7H2,1H3,(H,20,23)
InChIKeyGYDWVKXWJKPVQD-UHFFFAOYSA-N
MW366.77 g/mol
LogP2.36
Rot. Bonds4

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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide (PubChem CID 4768372) has the molecular formula C14H18ClF3N4O2 and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
PubChem CID4768372
Molecular FormulaC14H18ClF3N4O2
Molecular Weight366.77 g/mol
Exact Mass366.11
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
SMILESCC(C(=O)NN1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H18ClF3N4O2/c1-8(13(23)20-21-4-6-24-7-5-21)22-11(9-2-3-9)10(15)12(19-22)14(16,17)18/h8-9H,2-7H2,1H3,(H,20,23)
InChIKeyGYDWVKXWJKPVQD-UHFFFAOYSA-N
XLogP2.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide (CID 4768372) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide is CC(C(=O)NN1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The InChIKey is GYDWVKXWJKPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N4O2/c1-8(13(23)20-21-4-6-24-7-5-21)22-11(9-2-3-9)10(15)12(19-22)14(16,17)18/h8-9H,2-7H2,1H3,(H,20,23).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide has a molecular weight of 366.77 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 4768372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).