1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea

C12H20N4O — CID 2932925

IUPAC1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17)
InChIKeyGUKRCFPCMBOJQT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.55
Rot. Bonds3

About 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea

1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 2932925) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID2932925
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17)
InChIKeyGUKRCFPCMBOJQT-UHFFFAOYSA-N
XLogP1.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]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-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 2932925) is 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)NC2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is GUKRCFPCMBOJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17).
What are the key properties of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 2932925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).