4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole

C15H26N2O — CID 10467302

IUPAC4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole
SMILESc1n[nH]cc1CCCOCCCC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-17-13-15/h12-14H,1-11H2,(H,16,17)
InChIKeyJUNUOQKMIJFAAQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.72
Rot. Bonds8

About 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole

4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole (PubChem CID 10467302) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole
PubChem CID10467302
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole
SMILESc1n[nH]cc1CCCOCCCC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-17-13-15/h12-14H,1-11H2,(H,16,17)
InChIKeyJUNUOQKMIJFAAQ-UHFFFAOYSA-N
XLogP3.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
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 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole?
The IUPAC name of 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole (CID 10467302) is 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole.
What is the SMILES notation for 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole?
The canonical SMILES for 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole is c1n[nH]cc1CCCOCCCC1CCCCC1.
What is the InChIKey of 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole?
The InChIKey is JUNUOQKMIJFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-17-13-15/h12-14H,1-11H2,(H,16,17).
What are the key properties of 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole?
4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole has a molecular weight of 250.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclohexylpropoxy)propyl]-1H-pyrazole is sourced from PubChem (CID 10467302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).