1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile

C15H20N6 — CID 166248059

IUPAC1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile
SMILESCC(C)n1cc(-c2cn(CC3(C#N)CCCC3)nn2)cn1
InChIInChI=1S/C15H20N6/c1-12(2)21-8-13(7-17-21)14-9-20(19-18-14)11-15(10-16)5-3-4-6-15/h7-9,12H,3-6,11H2,1-2H3
InChIKeyWJWASNZBPPBZJR-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.81
Rot. Bonds4

About 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile

1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile (PubChem CID 166248059) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile
PubChem CID166248059
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile
SMILESCC(C)n1cc(-c2cn(CC3(C#N)CCCC3)nn2)cn1
InChIInChI=1S/C15H20N6/c1-12(2)21-8-13(7-17-21)14-9-20(19-18-14)11-15(10-16)5-3-4-6-15/h7-9,12H,3-6,11H2,1-2H3
InChIKeyWJWASNZBPPBZJR-UHFFFAOYSA-N
XLogP2.81
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile (CID 166248059) is 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile is CC(C)n1cc(-c2cn(CC3(C#N)CCCC3)nn2)cn1.
What is the InChIKey of 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile?
The InChIKey is WJWASNZBPPBZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-12(2)21-8-13(7-17-21)14-9-20(19-18-14)11-15(10-16)5-3-4-6-15/h7-9,12H,3-6,11H2,1-2H3.
What are the key properties of 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile?
1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 166248059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).