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

C16H18N4 — CID 64904858

IUPAC3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCn1nccc1CNC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C16H18N4/c1-20-15(7-8-19-20)11-18-14-9-16(10-14,12-17)13-5-3-2-4-6-13/h2-8,14,18H,9-11H2,1H3
InChIKeyCKINZKJGNVZATL-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.13
Rot. Bonds4

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

3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 64904858) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID64904858
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCn1nccc1CNC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C16H18N4/c1-20-15(7-8-19-20)11-18-14-9-16(10-14,12-17)13-5-3-2-4-6-13/h2-8,14,18H,9-11H2,1H3
InChIKeyCKINZKJGNVZATL-UHFFFAOYSA-N
XLogP2.13
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile
CID 64904841
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904409
3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612942
3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056
3-[(5-chlorothiophen-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64906716
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904637
3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 79079472
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
3-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
CID 82684802

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (CID 64904858) is 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is Cn1nccc1CNC1CC(C#N)(c2ccccc2)C1.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is CKINZKJGNVZATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-15(7-8-19-20)11-18-14-9-16(10-14,12-17)13-5-3-2-4-6-13/h2-8,14,18H,9-11H2,1H3.
What are the key properties of 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 64904858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).