(4-ethyl-1-methylpyrazol-3-yl)methanol

C7H12N2O — CID 105422553

IUPAC(4-ethyl-1-methylpyrazol-3-yl)methanol
SMILESCCc1cn(C)nc1CO
InChIInChI=1S/C7H12N2O/c1-3-6-4-9(2)8-7(6)5-10/h4,10H,3,5H2,1-2H3
InChIKeyPKOTYZJEPQTFRU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.47
Rot. Bonds2

About (4-ethyl-1-methylpyrazol-3-yl)methanol

(4-ethyl-1-methylpyrazol-3-yl)methanol (PubChem CID 105422553) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4-ethyl-1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-1-methylpyrazol-3-yl)methanol
PubChem CID105422553
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4-ethyl-1-methylpyrazol-3-yl)methanol
SMILESCCc1cn(C)nc1CO
InChIInChI=1S/C7H12N2O/c1-3-6-4-9(2)8-7(6)5-10/h4,10H,3,5H2,1-2H3
InChIKeyPKOTYZJEPQTFRU-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-ethyl-1-methylpyrazol-3-yl)methanol (CID 105422553) is (4-ethyl-1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-ethyl-1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-ethyl-1-methylpyrazol-3-yl)methanol is CCc1cn(C)nc1CO.
What is the InChIKey of (4-ethyl-1-methylpyrazol-3-yl)methanol?
The InChIKey is PKOTYZJEPQTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6-4-9(2)8-7(6)5-10/h4,10H,3,5H2,1-2H3.
What are the key properties of (4-ethyl-1-methylpyrazol-3-yl)methanol?
(4-ethyl-1-methylpyrazol-3-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 105422553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).