1-cyclopentylpyrazole

C8H12N2 — CID 10844435

IUPAC1-cyclopentylpyrazole
SMILESc1cnn(C2CCCC2)c1
InChIInChI=1S/C8H12N2/c1-2-5-8(4-1)10-7-3-6-9-10/h3,6-8H,1-2,4-5H2
InChIKeyJZSAQAFZTUPWAR-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.00
Rot. Bonds1

About 1-cyclopentylpyrazole

1-cyclopentylpyrazole (PubChem CID 10844435) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-cyclopentylpyrazole.

Molecular Properties

Compound Name1-cyclopentylpyrazole
PubChem CID10844435
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-cyclopentylpyrazole
SMILESc1cnn(C2CCCC2)c1
InChIInChI=1S/C8H12N2/c1-2-5-8(4-1)10-7-3-6-9-10/h3,6-8H,1-2,4-5H2
InChIKeyJZSAQAFZTUPWAR-UHFFFAOYSA-N
XLogP2.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrazole?
The IUPAC name of 1-cyclopentylpyrazole (CID 10844435) is 1-cyclopentylpyrazole.
What is the SMILES notation for 1-cyclopentylpyrazole?
The canonical SMILES for 1-cyclopentylpyrazole is c1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentylpyrazole?
The InChIKey is JZSAQAFZTUPWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-5-8(4-1)10-7-3-6-9-10/h3,6-8H,1-2,4-5H2.
What are the key properties of 1-cyclopentylpyrazole?
1-cyclopentylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrazole is sourced from PubChem (CID 10844435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).