1-pentylpyrazole

C8H14N2 — CID 12711093

IUPAC1-pentylpyrazole
SMILESCCCCCn1cccn1
InChIInChI=1S/C8H14N2/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,2-4,7H2,1H3
InChIKeyGEPBNSNQBGDCTO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds4

About 1-pentylpyrazole

1-pentylpyrazole (PubChem CID 12711093) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-pentylpyrazole.

Molecular Properties

Compound Name1-pentylpyrazole
PubChem CID12711093
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-pentylpyrazole
SMILESCCCCCn1cccn1
InChIInChI=1S/C8H14N2/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,2-4,7H2,1H3
InChIKeyGEPBNSNQBGDCTO-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentylpyrazole?
The IUPAC name of 1-pentylpyrazole (CID 12711093) is 1-pentylpyrazole.
What is the SMILES notation for 1-pentylpyrazole?
The canonical SMILES for 1-pentylpyrazole is CCCCCn1cccn1.
What is the InChIKey of 1-pentylpyrazole?
The InChIKey is GEPBNSNQBGDCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-pentylpyrazole?
1-pentylpyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrazole is sourced from PubChem (CID 12711093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).