1-pentylpyrazole;propane

C11H22N2 — CID 156859541

IUPAC1-pentylpyrazole;propane
SMILESCCC.CCCCCn1cccn1
InChIInChI=1S/C8H14N2.C3H8/c1-2-3-4-7-10-8-5-6-9-10;1-3-2/h5-6,8H,2-4,7H2,1H3;3H2,1-2H3
InChIKeyOPSDMAAUJANBDC-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.49
Rot. Bonds4

About 1-pentylpyrazole;propane

1-pentylpyrazole;propane (PubChem CID 156859541) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-pentylpyrazole;propane.

Molecular Properties

Compound Name1-pentylpyrazole;propane
PubChem CID156859541
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-pentylpyrazole;propane
SMILESCCC.CCCCCn1cccn1
InChIInChI=1S/C8H14N2.C3H8/c1-2-3-4-7-10-8-5-6-9-10;1-3-2/h5-6,8H,2-4,7H2,1H3;3H2,1-2H3
InChIKeyOPSDMAAUJANBDC-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.49
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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Related Compounds

N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
4-pyrazol-1-ylbutan-1-ol
CID 43509832
1-(4-fluorobutyl)pyrazole
CID 89149244
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
1-pentylpyrrole;propane
CID 174972146
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
1-(3-bromopropyl)pyrazole;hydrobromide
CID 155944004
1-(3-ethylsulfanylpropyl)pyrazole
CID 115651086
1-ethylpyrazole;propane
CID 142296683
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
1-(4,4-dimethylhexyl)pyrazole
CID 166788525

Frequently Asked Questions

What is the IUPAC name of 1-pentylpyrazole;propane?
The IUPAC name of 1-pentylpyrazole;propane (CID 156859541) is 1-pentylpyrazole;propane.
What is the SMILES notation for 1-pentylpyrazole;propane?
The canonical SMILES for 1-pentylpyrazole;propane is CCC.CCCCCn1cccn1.
What is the InChIKey of 1-pentylpyrazole;propane?
The InChIKey is OPSDMAAUJANBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C3H8/c1-2-3-4-7-10-8-5-6-9-10;1-3-2/h5-6,8H,2-4,7H2,1H3;3H2,1-2H3.
What are the key properties of 1-pentylpyrazole;propane?
1-pentylpyrazole;propane has a molecular weight of 182.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrazole;propane is sourced from PubChem (CID 156859541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).