4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol

C10H18N2O2 — CID 116802475

IUPAC4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
SMILESCCn1cc(OCCC(C)(C)O)cn1
InChIInChI=1S/C10H18N2O2/c1-4-12-8-9(7-11-12)14-6-5-10(2,3)13/h7-8,13H,4-6H2,1-3H3
InChIKeyDWBQEUYPIHKFGE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.44
Rot. Bonds5

About 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol

4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol (PubChem CID 116802475) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
PubChem CID116802475
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
SMILESCCn1cc(OCCC(C)(C)O)cn1
InChIInChI=1S/C10H18N2O2/c1-4-12-8-9(7-11-12)14-6-5-10(2,3)13/h7-8,13H,4-6H2,1-3H3
InChIKeyDWBQEUYPIHKFGE-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-hexoxypyrazole
CID 116804751
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol (CID 116802475) is 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol is CCn1cc(OCCC(C)(C)O)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol?
The InChIKey is DWBQEUYPIHKFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-12-8-9(7-11-12)14-6-5-10(2,3)13/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol?
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol is sourced from PubChem (CID 116802475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).