1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea

C17H26N4O — CID 71603118

IUPAC1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C
InChIInChI=1S/C17H26N4O/c1-3-21-10(2)4-15(20-21)18-17(22)19-16-13-6-11-5-12(8-13)9-14(16)7-11/h4,11-14,16H,3,5-9H2,1-2H3,(H2,18,19,20,22)
InChIKeyDJRXZTPBXKMXJQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.16
Rot. Bonds3

About 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea

1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea (PubChem CID 71603118) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea
PubChem CID71603118
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C
InChIInChI=1S/C17H26N4O/c1-3-21-10(2)4-15(20-21)18-17(22)19-16-13-6-11-5-12(8-13)9-14(16)7-11/h4,11-14,16H,3,5-9H2,1-2H3,(H2,18,19,20,22)
InChIKeyDJRXZTPBXKMXJQ-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-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-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea (CID 71603118) is 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea is CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C.
What is the InChIKey of 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
The InChIKey is DJRXZTPBXKMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-21-10(2)4-15(20-21)18-17(22)19-16-13-6-11-5-12(8-13)9-14(16)7-11/h4,11-14,16H,3,5-9H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea has a molecular weight of 302.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea is sourced from PubChem (CID 71603118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).