(2-ethyl-5-methylpyrazol-3-yl)methanol

C7H12N2O — CID 23005549

IUPAC(2-ethyl-5-methylpyrazol-3-yl)methanol
SMILESCCn1nc(C)cc1CO
InChIInChI=1S/C7H12N2O/c1-3-9-7(5-10)4-6(2)8-9/h4,10H,3,5H2,1-2H3
InChIKeySBQOJHNRBRJLIW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.70
Rot. Bonds2

About (2-ethyl-5-methylpyrazol-3-yl)methanol

(2-ethyl-5-methylpyrazol-3-yl)methanol (PubChem CID 23005549) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)methanol
PubChem CID23005549
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)methanol
SMILESCCn1nc(C)cc1CO
InChIInChI=1S/C7H12N2O/c1-3-9-7(5-10)4-6(2)8-9/h4,10H,3,5H2,1-2H3
InChIKeySBQOJHNRBRJLIW-UHFFFAOYSA-N
XLogP0.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)methanol?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)methanol (CID 23005549) is (2-ethyl-5-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)methanol is CCn1nc(C)cc1CO.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)methanol?
The InChIKey is SBQOJHNRBRJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9-7(5-10)4-6(2)8-9/h4,10H,3,5H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)methanol?
(2-ethyl-5-methylpyrazol-3-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 23005549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).