N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C15H17F3N4O3 — CID 71807740

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)11-7-10(9-1-2-9)22(20-11)6-5-19-12(23)8-21-13(24)3-4-14(21)25/h7,9H,1-6,8H2,(H,19,23)
InChIKeyRVRVFGZGRXUZDM-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.04
Rot. Bonds6

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 71807740) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID71807740
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)11-7-10(9-1-2-9)22(20-11)6-5-19-12(23)8-21-13(24)3-4-14(21)25/h7,9H,1-6,8H2,(H,19,23)
InChIKeyRVRVFGZGRXUZDM-UHFFFAOYSA-N
XLogP1.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 71807740) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is RVRVFGZGRXUZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c16-15(17,18)11-7-10(9-1-2-9)22(20-11)6-5-19-12(23)8-21-13(24)3-4-14(21)25/h7,9H,1-6,8H2,(H,19,23).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 358.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71807740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).