1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea

C22H26N4O2 — CID 2811925

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)19-14-20(26(4)25-19)24-21(27)23-17-10-12-18(13-11-17)28-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H2,23,24,27)
InChIKeyIGENCZURIFXIBM-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.94
Rot. Bonds5

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2811925) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2811925
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)19-14-20(26(4)25-19)24-21(27)23-17-10-12-18(13-11-17)28-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H2,23,24,27)
InChIKeyIGENCZURIFXIBM-UHFFFAOYSA-N
XLogP4.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)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-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea (CID 2811925) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is IGENCZURIFXIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)19-14-20(26(4)25-19)24-21(27)23-17-10-12-18(13-11-17)28-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H2,23,24,27).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 378.48 g/mol, XLogP of 4.94, 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-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2811925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).