3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile

C12H17N3 — CID 67966087

IUPAC3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile
SMILESCc1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C12H17N3/c1-10-8-14-15(9-10)12(6-7-13)11-4-2-3-5-11/h8-9,11-12H,2-6H2,1H3
InChIKeyCPHJOWNLHXBOTQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.84
Rot. Bonds3

About 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile

3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile (PubChem CID 67966087) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile
PubChem CID67966087
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile
SMILESCc1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C12H17N3/c1-10-8-14-15(9-10)12(6-7-13)11-4-2-3-5-11/h8-9,11-12H,2-6H2,1H3
InChIKeyCPHJOWNLHXBOTQ-UHFFFAOYSA-N
XLogP2.84
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile (CID 67966087) is 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile is Cc1cnn(C(CC#N)C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile?
The InChIKey is CPHJOWNLHXBOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-8-14-15(9-10)12(6-7-13)11-4-2-3-5-11/h8-9,11-12H,2-6H2,1H3.
What are the key properties of 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile?
3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 67966087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).