1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea

C23H27FN4O2 — CID 71013486

IUPAC1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(OC)cc2)cc1F
InChIInChI=1S/C23H27FN4O2/c1-6-15-7-8-16(13-19(15)24)25-22(29)26-21-14-20(23(2,3)4)27-28(21)17-9-11-18(30-5)12-10-17/h7-14H,6H2,1-5H3,(H2,25,26,29)
InChIKeyCUVUGKHLJNYFSV-UHFFFAOYSA-N
MW410.49 g/mol
LogP5.52
Rot. Bonds5

About 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea

1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea (PubChem CID 71013486) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea
PubChem CID71013486
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(OC)cc2)cc1F
InChIInChI=1S/C23H27FN4O2/c1-6-15-7-8-16(13-19(15)24)25-22(29)26-21-14-20(23(2,3)4)27-28(21)17-9-11-18(30-5)12-10-17/h7-14H,6H2,1-5H3,(H2,25,26,29)
InChIKeyCUVUGKHLJNYFSV-UHFFFAOYSA-N
XLogP5.52
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)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-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea?
The IUPAC name of 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea (CID 71013486) is 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea.
What is the SMILES notation for 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea?
The canonical SMILES for 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea is CCc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(OC)cc2)cc1F.
What is the InChIKey of 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea?
The InChIKey is CUVUGKHLJNYFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-6-15-7-8-16(13-19(15)24)25-22(29)26-21-14-20(23(2,3)4)27-28(21)17-9-11-18(30-5)12-10-17/h7-14H,6H2,1-5H3,(H2,25,26,29).
What are the key properties of 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea?
1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea has a molecular weight of 410.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(4-ethyl-3-fluorophenyl)urea is sourced from PubChem (CID 71013486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).