1-(3,5-dimethylpyrazol-1-yl)ethanol

C7H12N2O — CID 70567807

IUPAC1-(3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1cc(C)n(C(C)O)n1
InChIInChI=1S/C7H12N2O/c1-5-4-6(2)9(8-5)7(3)10/h4,7,10H,1-3H3
InChIKeyLIGRELKPKAHKGZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.01
Rot. Bonds1

About 1-(3,5-dimethylpyrazol-1-yl)ethanol

1-(3,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 70567807) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)ethanol
PubChem CID70567807
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1cc(C)n(C(C)O)n1
InChIInChI=1S/C7H12N2O/c1-5-4-6(2)9(8-5)7(3)10/h4,7,10H,1-3H3
InChIKeyLIGRELKPKAHKGZ-UHFFFAOYSA-N
XLogP1.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole
CID 91218954
2,2-bis(3,5-dimethylpyrazol-1-yl)ethanethioic S-acid
CID 101366355
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
3-(3,5-dimethylpyrazol-1-yl)butanethioamide
CID 60915402
tetrakis(1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(iron(2+));tetratetrafluoroborate
CID 139136664
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
CID 62446833
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
CID 62448342
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408988
5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxylic acid
CID 79084519

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)ethanol (CID 70567807) is 1-(3,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)ethanol is Cc1cc(C)n(C(C)O)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is LIGRELKPKAHKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-6(2)9(8-5)7(3)10/h4,7,10H,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)ethanol?
1-(3,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 70567807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).