1-cyclopentylpyrazole-4-carbonitrile

C9H11N3 — CID 83814234

IUPAC1-cyclopentylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCCC2)c1
InChIInChI=1S/C9H11N3/c10-5-8-6-11-12(7-8)9-3-1-2-4-9/h6-7,9H,1-4H2
InChIKeyVBUHHRMNVFBUBY-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.87
Rot. Bonds1

About 1-cyclopentylpyrazole-4-carbonitrile

1-cyclopentylpyrazole-4-carbonitrile (PubChem CID 83814234) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-cyclopentylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-cyclopentylpyrazole-4-carbonitrile
PubChem CID83814234
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-cyclopentylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCCC2)c1
InChIInChI=1S/C9H11N3/c10-5-8-6-11-12(7-8)9-3-1-2-4-9/h6-7,9H,1-4H2
InChIKeyVBUHHRMNVFBUBY-UHFFFAOYSA-N
XLogP1.87
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrazole-4-carbonitrile?
The IUPAC name of 1-cyclopentylpyrazole-4-carbonitrile (CID 83814234) is 1-cyclopentylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-cyclopentylpyrazole-4-carbonitrile?
The canonical SMILES for 1-cyclopentylpyrazole-4-carbonitrile is N#Cc1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentylpyrazole-4-carbonitrile?
The InChIKey is VBUHHRMNVFBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-5-8-6-11-12(7-8)9-3-1-2-4-9/h6-7,9H,1-4H2.
What are the key properties of 1-cyclopentylpyrazole-4-carbonitrile?
1-cyclopentylpyrazole-4-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrazole-4-carbonitrile is sourced from PubChem (CID 83814234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).