1-cyclopentyl-4-ethynylpyrazole

C10H12N2 — CID 122240536

IUPAC1-cyclopentyl-4-ethynylpyrazole
SMILESC#Cc1cnn(C2CCCC2)c1
InChIInChI=1S/C10H12N2/c1-2-9-7-11-12(8-9)10-5-3-4-6-10/h1,7-8,10H,3-6H2
InChIKeyPXWJMDYNSIWHNN-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.98
Rot. Bonds1

About 1-cyclopentyl-4-ethynylpyrazole

1-cyclopentyl-4-ethynylpyrazole (PubChem CID 122240536) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethynylpyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-ethynylpyrazole
PubChem CID122240536
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-cyclopentyl-4-ethynylpyrazole
SMILESC#Cc1cnn(C2CCCC2)c1
InChIInChI=1S/C10H12N2/c1-2-9-7-11-12(8-9)10-5-3-4-6-10/h1,7-8,10H,3-6H2
InChIKeyPXWJMDYNSIWHNN-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-ethynylpyrazole?
The IUPAC name of 1-cyclopentyl-4-ethynylpyrazole (CID 122240536) is 1-cyclopentyl-4-ethynylpyrazole.
What is the SMILES notation for 1-cyclopentyl-4-ethynylpyrazole?
The canonical SMILES for 1-cyclopentyl-4-ethynylpyrazole is C#Cc1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-4-ethynylpyrazole?
The InChIKey is PXWJMDYNSIWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-9-7-11-12(8-9)10-5-3-4-6-10/h1,7-8,10H,3-6H2.
What are the key properties of 1-cyclopentyl-4-ethynylpyrazole?
1-cyclopentyl-4-ethynylpyrazole has a molecular weight of 160.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethynylpyrazole is sourced from PubChem (CID 122240536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).