3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile

C17H20N4 — CID 102612942

IUPAC3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCc1cnn(CCNC2CC(C#N)(c3ccccc3)C2)c1
InChIInChI=1S/C17H20N4/c1-14-11-20-21(12-14)8-7-19-16-9-17(10-16,13-18)15-5-3-2-4-6-15/h2-6,11-12,16,19H,7-10H2,1H3
InChIKeyOIYUBOADJJNGBH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.41
Rot. Bonds5

About 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile

3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 102612942) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID102612942
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCc1cnn(CCNC2CC(C#N)(c3ccccc3)C2)c1
InChIInChI=1S/C17H20N4/c1-14-11-20-21(12-14)8-7-19-16-9-17(10-16,13-18)15-5-3-2-4-6-15/h2-6,11-12,16,19H,7-10H2,1H3
InChIKeyOIYUBOADJJNGBH-UHFFFAOYSA-N
XLogP2.41
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile 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 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile (CID 102612942) is 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile is Cc1cnn(CCNC2CC(C#N)(c3ccccc3)C2)c1.
What is the InChIKey of 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is OIYUBOADJJNGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-14-11-20-21(12-14)8-7-19-16-9-17(10-16,13-18)15-5-3-2-4-6-15/h2-6,11-12,16,19H,7-10H2,1H3.
What are the key properties of 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 102612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).