1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea

C11H15F3N4O2 — CID 119053003

IUPAC1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)7-15-10(19)17-9-1-3-16-18(9)5-8-2-4-20-6-8/h1,3,8H,2,4-7H2,(H2,15,17,19)
InChIKeyHBWVLTUMBNHVCQ-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 119053003) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID119053003
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)7-15-10(19)17-9-1-3-16-18(9)5-8-2-4-20-6-8/h1,3,8H,2,4-7H2,(H2,15,17,19)
InChIKeyHBWVLTUMBNHVCQ-UHFFFAOYSA-N
XLogP1.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea 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 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea (CID 119053003) is 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccnn1CC1CCOC1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HBWVLTUMBNHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)7-15-10(19)17-9-1-3-16-18(9)5-8-2-4-20-6-8/h1,3,8H,2,4-7H2,(H2,15,17,19).
What are the key properties of 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 292.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 119053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).