1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea

C11H15N5O — CID 47200898

IUPAC1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
SMILESCc1cc(NC(=O)NC2CC2)n(CCC#N)n1
InChIInChI=1S/C11H15N5O/c1-8-7-10(16(15-8)6-2-5-12)14-11(17)13-9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,17)
InChIKeyPNBORABUJQNZMG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea

1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea (PubChem CID 47200898) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
PubChem CID47200898
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
SMILESCc1cc(NC(=O)NC2CC2)n(CCC#N)n1
InChIInChI=1S/C11H15N5O/c1-8-7-10(16(15-8)6-2-5-12)14-11(17)13-9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,17)
InChIKeyPNBORABUJQNZMG-UHFFFAOYSA-N
XLogP1.39
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea 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-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea (CID 47200898) is 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea is Cc1cc(NC(=O)NC2CC2)n(CCC#N)n1.
What is the InChIKey of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
The InChIKey is PNBORABUJQNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-7-10(16(15-8)6-2-5-12)14-11(17)13-9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,17).
What are the key properties of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea has a molecular weight of 233.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea is sourced from PubChem (CID 47200898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).