(5-ethyl-1H-pyrazol-4-yl)methanol

C6H10N2O — CID 66440409

IUPAC(5-ethyl-1H-pyrazol-4-yl)methanol
SMILESCCc1[nH]ncc1CO
InChIInChI=1S/C6H10N2O/c1-2-6-5(4-9)3-7-8-6/h3,9H,2,4H2,1H3,(H,7,8)
InChIKeyMROPTDZYIJISTR-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.46
Rot. Bonds2

About (5-ethyl-1H-pyrazol-4-yl)methanol

(5-ethyl-1H-pyrazol-4-yl)methanol (PubChem CID 66440409) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (5-ethyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1H-pyrazol-4-yl)methanol
PubChem CID66440409
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(5-ethyl-1H-pyrazol-4-yl)methanol
SMILESCCc1[nH]ncc1CO
InChIInChI=1S/C6H10N2O/c1-2-6-5(4-9)3-7-8-6/h3,9H,2,4H2,1H3,(H,7,8)
InChIKeyMROPTDZYIJISTR-UHFFFAOYSA-N
XLogP0.46
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (5-ethyl-1H-pyrazol-4-yl)methanol (CID 66440409) is (5-ethyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (5-ethyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (5-ethyl-1H-pyrazol-4-yl)methanol is CCc1[nH]ncc1CO.
What is the InChIKey of (5-ethyl-1H-pyrazol-4-yl)methanol?
The InChIKey is MROPTDZYIJISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-6-5(4-9)3-7-8-6/h3,9H,2,4H2,1H3,(H,7,8).
What are the key properties of (5-ethyl-1H-pyrazol-4-yl)methanol?
(5-ethyl-1H-pyrazol-4-yl)methanol has a molecular weight of 126.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 66440409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).