ethane;(2-methylpyrazol-3-yl)methanol

C7H14N2O — CID 144625468

IUPACethane;(2-methylpyrazol-3-yl)methanol
SMILESCC.Cn1nccc1CO
InChIInChI=1S/C5H8N2O.C2H6/c1-7-5(4-8)2-3-6-7;1-2/h2-3,8H,4H2,1H3;1-2H3
InChIKeyUCCIISLUUQMVSE-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds1

About ethane;(2-methylpyrazol-3-yl)methanol

ethane;(2-methylpyrazol-3-yl)methanol (PubChem CID 144625468) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is ethane;(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Nameethane;(2-methylpyrazol-3-yl)methanol
PubChem CID144625468
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameethane;(2-methylpyrazol-3-yl)methanol
SMILESCC.Cn1nccc1CO
InChIInChI=1S/C5H8N2O.C2H6/c1-7-5(4-8)2-3-6-7;1-2/h2-3,8H,4H2,1H3;1-2H3
InChIKeyUCCIISLUUQMVSE-UHFFFAOYSA-N
XLogP0.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-(iodomethyl)-1-methylpyrazole
CID 126698907
2-[(2-methylpyrazol-3-yl)methoxy]ethanol
CID 164538456
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
3-[5-(hydroxymethyl)pyrazol-1-yl]propan-1-ol
CID 156694771
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methylpyrazol-3-yl)methanol?
The IUPAC name of ethane;(2-methylpyrazol-3-yl)methanol (CID 144625468) is ethane;(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for ethane;(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for ethane;(2-methylpyrazol-3-yl)methanol is CC.Cn1nccc1CO.
What is the InChIKey of ethane;(2-methylpyrazol-3-yl)methanol?
The InChIKey is UCCIISLUUQMVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6/c1-7-5(4-8)2-3-6-7;1-2/h2-3,8H,4H2,1H3;1-2H3.
What are the key properties of ethane;(2-methylpyrazol-3-yl)methanol?
ethane;(2-methylpyrazol-3-yl)methanol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 144625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).