1-cyclopropylpyrazole;1-methoxypentane

C12H22N2O — CID 168887617

IUPAC1-cyclopropylpyrazole;1-methoxypentane
SMILESCCCCCOC.c1cnn(C2CC2)c1
InChIInChI=1S/C6H8N2.C6H14O/c1-4-7-8(5-1)6-2-3-6;1-3-4-5-6-7-2/h1,4-6H,2-3H2;3-6H2,1-2H3
InChIKeyQFLXZVRTKIAJPV-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.04
Rot. Bonds5

About 1-cyclopropylpyrazole;1-methoxypentane

1-cyclopropylpyrazole;1-methoxypentane (PubChem CID 168887617) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;1-methoxypentane.

Molecular Properties

Compound Name1-cyclopropylpyrazole;1-methoxypentane
PubChem CID168887617
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclopropylpyrazole;1-methoxypentane
SMILESCCCCCOC.c1cnn(C2CC2)c1
InChIInChI=1S/C6H8N2.C6H14O/c1-4-7-8(5-1)6-2-3-6;1-3-4-5-6-7-2/h1,4-6H,2-3H2;3-6H2,1-2H3
InChIKeyQFLXZVRTKIAJPV-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-isopropyl-1H-pyrazole
CID 13469816
1-(2-Tetrahydropyranyl)-1H-pyrazole
CID 21866310
2-(1H-Pyrazol-1-yl)propan-1-ol
CID 21835219
1-(2-Methoxyethyl)-1H-pyrazole
CID 21859716
1-(1-Ethoxyethyl)-1H-pyrazole
CID 46941562
3-iodo-1-(oxan-4-yl)-1H-pyrazole
CID 79788050
1-cyclopropyl-1H-pyrazole hydrochloride
CID 138040072
1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 15640870
1-[(2R)-oxan-2-yl]pyrazole
CID 44141286
Oxyethylpyrazole
CID 21877081
1-(2-Ethoxyethyl) pyrazole
CID 52141938
1-Pentan-3-ylpyrazole
CID 61272281

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;1-methoxypentane?
The IUPAC name of 1-cyclopropylpyrazole;1-methoxypentane (CID 168887617) is 1-cyclopropylpyrazole;1-methoxypentane.
What is the SMILES notation for 1-cyclopropylpyrazole;1-methoxypentane?
The canonical SMILES for 1-cyclopropylpyrazole;1-methoxypentane is CCCCCOC.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;1-methoxypentane?
The InChIKey is QFLXZVRTKIAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C6H14O/c1-4-7-8(5-1)6-2-3-6;1-3-4-5-6-7-2/h1,4-6H,2-3H2;3-6H2,1-2H3.
What are the key properties of 1-cyclopropylpyrazole;1-methoxypentane?
1-cyclopropylpyrazole;1-methoxypentane has a molecular weight of 210.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;1-methoxypentane is sourced from PubChem (CID 168887617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).