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

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Related Compounds

3-(butylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905853
3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904858
3-(4-hydroxybutylamino)-1-phenylcyclobutane-1-carbonitrile
CID 106840979
3-(but-2-ynylamino)-1-phenylcyclobutane-1-carbonitrile
CID 113464533
3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056
3-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904853
3-(4-hydroxypentylamino)-1-phenylcyclobutane-1-carbonitrile
CID 107270220
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103578457
4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide
CID 64906287
4-[(3-cyano-3-phenylcyclobutyl)amino]butanoic acid
CID 64905866
1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile
CID 64904841

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).