1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

C12H22N2O2 — CID 103035194

IUPAC1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCn1cc(C(O)CCC(C)(C)OC)cn1
InChIInChI=1S/C12H22N2O2/c1-5-14-9-10(8-13-14)11(15)6-7-12(2,3)16-4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyGFPPVGGZJYPNRL-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103035194) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103035194
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCn1cc(C(O)CCC(C)(C)OC)cn1
InChIInChI=1S/C12H22N2O2/c1-5-14-9-10(8-13-14)11(15)6-7-12(2,3)16-4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyGFPPVGGZJYPNRL-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (CID 103035194) is 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is CCn1cc(C(O)CCC(C)(C)OC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is GFPPVGGZJYPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-14-9-10(8-13-14)11(15)6-7-12(2,3)16-4/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103035194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).