(1-ethyl-3,5-dimethylpyrazol-4-yl)methanol

C8H14N2O — CID 7172183

IUPAC(1-ethyl-3,5-dimethylpyrazol-4-yl)methanol
SMILESCCn1nc(C)c(CO)c1C
InChIInChI=1S/C8H14N2O/c1-4-10-7(3)8(5-11)6(2)9-10/h11H,4-5H2,1-3H3
InChIKeyXPPKFYUMRUIGNX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.01
Rot. Bonds2

About (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol

(1-ethyl-3,5-dimethylpyrazol-4-yl)methanol (PubChem CID 7172183) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-3,5-dimethylpyrazol-4-yl)methanol
PubChem CID7172183
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1-ethyl-3,5-dimethylpyrazol-4-yl)methanol
SMILESCCn1nc(C)c(CO)c1C
InChIInChI=1S/C8H14N2O/c1-4-10-7(3)8(5-11)6(2)9-10/h11H,4-5H2,1-3H3
InChIKeyXPPKFYUMRUIGNX-UHFFFAOYSA-N
XLogP1.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol (CID 7172183) is (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol is CCn1nc(C)c(CO)c1C.
What is the InChIKey of (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is XPPKFYUMRUIGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-10-7(3)8(5-11)6(2)9-10/h11H,4-5H2,1-3H3.
What are the key properties of (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol?
(1-ethyl-3,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 7172183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).