1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

C13H24N2O2 — CID 103028477

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCc1nn(C)cc1C(O)CCC(C)(C)OC
InChIInChI=1S/C13H24N2O2/c1-6-11-10(9-15(4)14-11)12(16)7-8-13(2,3)17-5/h9,12,16H,6-8H2,1-5H3
InChIKeyMVOJUVYAIHIECE-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.22
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028477) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028477
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCc1nn(C)cc1C(O)CCC(C)(C)OC
InChIInChI=1S/C13H24N2O2/c1-6-11-10(9-15(4)14-11)12(16)7-8-13(2,3)17-5/h9,12,16H,6-8H2,1-5H3
InChIKeyMVOJUVYAIHIECE-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028477) is 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is CCc1nn(C)cc1C(O)CCC(C)(C)OC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is MVOJUVYAIHIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-11-10(9-15(4)14-11)12(16)7-8-13(2,3)17-5/h9,12,16H,6-8H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).