1-hept-6-enylpyrazole

C10H16N2 — CID 107010190

IUPAC1-hept-6-enylpyrazole
SMILESC=CCCCCCn1cccn1
InChIInChI=1S/C10H16N2/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,7-8,10H,1,3-6,9H2
InChIKeyNUKABPCXYZYUQU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.63
Rot. Bonds6

About 1-hept-6-enylpyrazole

1-hept-6-enylpyrazole (PubChem CID 107010190) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-hept-6-enylpyrazole.

Molecular Properties

Compound Name1-hept-6-enylpyrazole
PubChem CID107010190
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-hept-6-enylpyrazole
SMILESC=CCCCCCn1cccn1
InChIInChI=1S/C10H16N2/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,7-8,10H,1,3-6,9H2
InChIKeyNUKABPCXYZYUQU-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-cyclopentyl-1H-pyrazole
CID 10844435
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
1-isopropyl-1H-pyrazole
CID 13469816
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
2-(1H-pyrazol-1-yl)acetonitrile
CID 7017843
1-butyl-1H-pyrazole
CID 142906
1,2-Dimethyl-1H-pyrazol-2-ium iodide
CID 13001652
1-Cyclohexylpyrazole
CID 10725523
3-(1H-pyrazol-1-yl)propan-1-amine
CID 7023140

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enylpyrazole?
The IUPAC name of 1-hept-6-enylpyrazole (CID 107010190) is 1-hept-6-enylpyrazole.
What is the SMILES notation for 1-hept-6-enylpyrazole?
The canonical SMILES for 1-hept-6-enylpyrazole is C=CCCCCCn1cccn1.
What is the InChIKey of 1-hept-6-enylpyrazole?
The InChIKey is NUKABPCXYZYUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 1-hept-6-enylpyrazole?
1-hept-6-enylpyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enylpyrazole is sourced from PubChem (CID 107010190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).