5-cycloheptyl-4,5-dihydro-1H-pyrazole

C10H18N2 — CID 19067961

IUPAC5-cycloheptyl-4,5-dihydro-1H-pyrazole
SMILESC1=NNC(C2CCCCCC2)C1
InChIInChI=1S/C10H18N2/c1-2-4-6-9(5-3-1)10-7-8-11-12-10/h8-10,12H,1-7H2
InChIKeyHUMCZXPUOOXXGR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.30
Rot. Bonds1

About 5-cycloheptyl-4,5-dihydro-1H-pyrazole

5-cycloheptyl-4,5-dihydro-1H-pyrazole (PubChem CID 19067961) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-cycloheptyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-cycloheptyl-4,5-dihydro-1H-pyrazole
PubChem CID19067961
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-cycloheptyl-4,5-dihydro-1H-pyrazole
SMILESC1=NNC(C2CCCCCC2)C1
InChIInChI=1S/C10H18N2/c1-2-4-6-9(5-3-1)10-7-8-11-12-10/h8-10,12H,1-7H2
InChIKeyHUMCZXPUOOXXGR-UHFFFAOYSA-N
XLogP2.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
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CID 58427678
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CID 524589
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CID 123187062
benzene;cyclohexylcyclohexane
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CID 7016471
2-cyclodecylazecane
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CID 54493704

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-cycloheptyl-4,5-dihydro-1H-pyrazole (CID 19067961) is 5-cycloheptyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-cycloheptyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-cycloheptyl-4,5-dihydro-1H-pyrazole is C1=NNC(C2CCCCCC2)C1.
What is the InChIKey of 5-cycloheptyl-4,5-dihydro-1H-pyrazole?
The InChIKey is HUMCZXPUOOXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-4-6-9(5-3-1)10-7-8-11-12-10/h8-10,12H,1-7H2.
What are the key properties of 5-cycloheptyl-4,5-dihydro-1H-pyrazole?
5-cycloheptyl-4,5-dihydro-1H-pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 19067961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).