1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea

C20H28N4O — CID 11099897

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea
SMILESCC(C)(C)c1cc(NC(=O)NC2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-20(2,3)17-14-18(24(23-17)16-12-8-5-9-13-16)22-19(25)21-15-10-6-4-7-11-15/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H2,21,22,25)
InChIKeyPGSYDZKLIPHTQE-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.62
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea (PubChem CID 11099897) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea
PubChem CID11099897
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea
SMILESCC(C)(C)c1cc(NC(=O)NC2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-20(2,3)17-14-18(24(23-17)16-12-8-5-9-13-16)22-19(25)21-15-10-6-4-7-11-15/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H2,21,22,25)
InChIKeyPGSYDZKLIPHTQE-UHFFFAOYSA-N
XLogP4.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea 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-phenylpyrazol-5-yl)-3-cyclohexylurea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea (CID 11099897) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea is CC(C)(C)c1cc(NC(=O)NC2CCCCC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea?
The InChIKey is PGSYDZKLIPHTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)17-14-18(24(23-17)16-12-8-5-9-13-16)22-19(25)21-15-10-6-4-7-11-15/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea has a molecular weight of 340.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea is sourced from PubChem (CID 11099897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).