1-cyclohexyl-4-(3-methoxypropoxy)pyrazole

C13H22N2O2 — CID 117233784

IUPAC1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
SMILESCOCCCOc1cnn(C2CCCCC2)c1
InChIInChI=1S/C13H22N2O2/c1-16-8-5-9-17-13-10-14-15(11-13)12-6-3-2-4-7-12/h10-12H,2-9H2,1H3
InChIKeyYPOZKIYQHFWULR-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole

1-cyclohexyl-4-(3-methoxypropoxy)pyrazole (PubChem CID 117233784) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
PubChem CID117233784
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
SMILESCOCCCOc1cnn(C2CCCCC2)c1
InChIInChI=1S/C13H22N2O2/c1-16-8-5-9-17-13-10-14-15(11-13)12-6-3-2-4-7-12/h10-12H,2-9H2,1H3
InChIKeyYPOZKIYQHFWULR-UHFFFAOYSA-N
XLogP2.80
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
CID 117233942
1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
CID 117233841
1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
CID 117233866
3-(1-cycloheptylpyrazol-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62719507
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
CID 117234155
1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233979
1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
CID 117233938
1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
CID 117233842
1-cyclohexyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234039
1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233974
2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
CID 117233939

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole?
The IUPAC name of 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole (CID 117233784) is 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole?
The canonical SMILES for 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole is COCCCOc1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole?
The InChIKey is YPOZKIYQHFWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-16-8-5-9-17-13-10-14-15(11-13)12-6-3-2-4-7-12/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole?
1-cyclohexyl-4-(3-methoxypropoxy)pyrazole has a molecular weight of 238.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3-methoxypropoxy)pyrazole is sourced from PubChem (CID 117233784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).