1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

C18H23FN4O2 — CID 136521264

IUPAC1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cnn(-c3ccccc3F)c2)C(C)(C)O1
InChIInChI=1S/C18H23FN4O2/c1-17(2)9-15(18(3,4)25-17)22-16(24)21-12-10-20-23(11-12)14-8-6-5-7-13(14)19/h5-8,10-11,15H,9H2,1-4H3,(H2,21,22,24)
InChIKeyKEJGCMIKOUVTSP-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.48
Rot. Bonds3

About 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (PubChem CID 136521264) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
PubChem CID136521264
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cnn(-c3ccccc3F)c2)C(C)(C)O1
InChIInChI=1S/C18H23FN4O2/c1-17(2)9-15(18(3,4)25-17)22-16(24)21-12-10-20-23(11-12)14-8-6-5-7-13(14)19/h5-8,10-11,15H,9H2,1-4H3,(H2,21,22,24)
InChIKeyKEJGCMIKOUVTSP-UHFFFAOYSA-N
XLogP3.48
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)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-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (CID 136521264) is 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is CC1(C)CC(NC(=O)Nc2cnn(-c3ccccc3F)c2)C(C)(C)O1.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The InChIKey is KEJGCMIKOUVTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-17(2)9-15(18(3,4)25-17)22-16(24)21-12-10-20-23(11-12)14-8-6-5-7-13(14)19/h5-8,10-11,15H,9H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea has a molecular weight of 346.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is sourced from PubChem (CID 136521264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).