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

C14H20ClF3N4O — CID 4770823

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(C(=O)NCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H20ClF3N4O/c1-8(13(23)19-6-7-21(2)3)22-11(9-4-5-9)10(15)12(20-22)14(16,17)18/h8-9H,4-7H2,1-3H3,(H,19,23)
InChIKeyWYFQTJMKFHJVLG-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.67
Rot. Bonds6

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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 4770823) has the molecular formula C14H20ClF3N4O and a molecular weight of 352.79 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID4770823
Molecular FormulaC14H20ClF3N4O
Molecular Weight352.79 g/mol
Exact Mass352.13
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(C(=O)NCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H20ClF3N4O/c1-8(13(23)19-6-7-21(2)3)22-11(9-4-5-9)10(15)12(20-22)14(16,17)18/h8-9H,4-7H2,1-3H3,(H,19,23)
InChIKeyWYFQTJMKFHJVLG-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.67
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-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide (CID 4770823) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide is CC(C(=O)NCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is WYFQTJMKFHJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N4O/c1-8(13(23)19-6-7-21(2)3)22-11(9-4-5-9)10(15)12(20-22)14(16,17)18/h8-9H,4-7H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 352.79 g/mol, XLogP of 2.67, 6 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-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 4770823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).