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

C13H18ClF3N4O — CID 4768009

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C13H18ClF3N4O/c1-20(2)6-5-18-9(22)7-21-11(8-3-4-8)10(14)12(19-21)13(15,16)17/h8H,3-7H2,1-2H3,(H,18,22)
InChIKeyVTNMVZFYCWHXLE-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.11
Rot. Bonds6

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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 4768009) has the molecular formula C13H18ClF3N4O and a molecular weight of 338.76 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID4768009
Molecular FormulaC13H18ClF3N4O
Molecular Weight338.76 g/mol
Exact Mass338.11
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C13H18ClF3N4O/c1-20(2)6-5-18-9(22)7-21-11(8-3-4-8)10(14)12(19-21)13(15,16)17/h8H,3-7H2,1-2H3,(H,18,22)
InChIKeyVTNMVZFYCWHXLE-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.11
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]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 4768009) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1nc(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]acetamide?
The InChIKey is VTNMVZFYCWHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N4O/c1-20(2)6-5-18-9(22)7-21-11(8-3-4-8)10(14)12(19-21)13(15,16)17/h8H,3-7H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 338.76 g/mol, XLogP of 2.11, 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]acetamide is sourced from PubChem (CID 4768009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).