1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol

C12H22N2O2 — CID 107892711

IUPAC1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1c(C)nn(C)c1OC
InChIInChI=1S/C12H22N2O2/c1-6-7-8(2)11(15)10-9(3)13-14(4)12(10)16-5/h8,11,15H,6-7H2,1-5H3
InChIKeyFGBUYAMFJRMJTP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.21
Rot. Bonds5

About 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol

1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol (PubChem CID 107892711) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
PubChem CID107892711
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1c(C)nn(C)c1OC
InChIInChI=1S/C12H22N2O2/c1-6-7-8(2)11(15)10-9(3)13-14(4)12(10)16-5/h8,11,15H,6-7H2,1-5H3
InChIKeyFGBUYAMFJRMJTP-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol?
The IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol (CID 107892711) is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol is CCCC(C)C(O)c1c(C)nn(C)c1OC.
What is the InChIKey of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol?
The InChIKey is FGBUYAMFJRMJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-7-8(2)11(15)10-9(3)13-14(4)12(10)16-5/h8,11,15H,6-7H2,1-5H3.
What are the key properties of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol?
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 107892711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).