1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H20F3N3O3 — CID 154847399

IUPAC1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC1(C)OCC(CCNC(=O)c2cc(C(F)(F)F)nn2C2CC2)O1
InChIInChI=1S/C15H20F3N3O3/c1-14(2)23-8-10(24-14)5-6-19-13(22)11-7-12(15(16,17)18)20-21(11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,19,22)
InChIKeyCTEDRTPEVKGVDY-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.51
Rot. Bonds5

About 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 154847399) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID154847399
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC1(C)OCC(CCNC(=O)c2cc(C(F)(F)F)nn2C2CC2)O1
InChIInChI=1S/C15H20F3N3O3/c1-14(2)23-8-10(24-14)5-6-19-13(22)11-7-12(15(16,17)18)20-21(11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,19,22)
InChIKeyCTEDRTPEVKGVDY-UHFFFAOYSA-N
XLogP2.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 154847399) is 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CC1(C)OCC(CCNC(=O)c2cc(C(F)(F)F)nn2C2CC2)O1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CTEDRTPEVKGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-14(2)23-8-10(24-14)5-6-19-13(22)11-7-12(15(16,17)18)20-21(11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,19,22).
What are the key properties of 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 154847399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).