4-pentyl-1H-pyrazole

C8H14N2 — CID 23273417

IUPAC4-pentyl-1H-pyrazole
SMILESCCCCCc1cn[nH]c1
InChIInChI=1S/C8H14N2/c1-2-3-4-5-8-6-9-10-7-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyWLLPPYCYEXLVGO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.14
Rot. Bonds4

About 4-pentyl-1H-pyrazole

4-pentyl-1H-pyrazole (PubChem CID 23273417) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-pentyl-1H-pyrazole.

Molecular Properties

Compound Name4-pentyl-1H-pyrazole
PubChem CID23273417
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-pentyl-1H-pyrazole
SMILESCCCCCc1cn[nH]c1
InChIInChI=1S/C8H14N2/c1-2-3-4-5-8-6-9-10-7-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyWLLPPYCYEXLVGO-UHFFFAOYSA-N
XLogP2.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-propyl-1H-pyrazole
CID 12943708
4-(3-chloropropyl)-1H-pyrazole
CID 19068889
4-Hexyl-1H-pyrazole
CID 44371494
1H-Pyrazole-4-propanamine
CID 152327
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-Ethyl-1H-pyrazole
CID 12933274
4-(tert-Butyl)-1H-pyrazole
CID 14969657
4-(Heptadecafluorooctyl)-1H-pyrazole
CID 13286741
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
3-(1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 22754933
2-(1H-pyrazol-4-yl)piperidine
CID 54593248
4-(2-methylpropyl)-1H-pyrazole
CID 58592546

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1H-pyrazole?
The IUPAC name of 4-pentyl-1H-pyrazole (CID 23273417) is 4-pentyl-1H-pyrazole.
What is the SMILES notation for 4-pentyl-1H-pyrazole?
The canonical SMILES for 4-pentyl-1H-pyrazole is CCCCCc1cn[nH]c1.
What is the InChIKey of 4-pentyl-1H-pyrazole?
The InChIKey is WLLPPYCYEXLVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-5-8-6-9-10-7-8/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-pentyl-1H-pyrazole?
4-pentyl-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1H-pyrazole is sourced from PubChem (CID 23273417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).