(1S)-1-(1-methylpyrazol-3-yl)ethanol

C6H10N2O — CID 26370414

IUPAC(1S)-1-(1-methylpyrazol-3-yl)ethanol
SMILESC[C@H](O)c1ccn(C)n1
InChIInChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-5,9H,1-2H3/t5-/m0/s1
InChIKeyIYZHSRBTZXDIHP-YFKPBYRVSA-N
MW126.16 g/mol
LogP0.47
Rot. Bonds1

About (1S)-1-(1-methylpyrazol-3-yl)ethanol

(1S)-1-(1-methylpyrazol-3-yl)ethanol (PubChem CID 26370414) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (1S)-1-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-methylpyrazol-3-yl)ethanol
PubChem CID26370414
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(1S)-1-(1-methylpyrazol-3-yl)ethanol
SMILESC[C@H](O)c1ccn(C)n1
InChIInChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-5,9H,1-2H3/t5-/m0/s1
InChIKeyIYZHSRBTZXDIHP-YFKPBYRVSA-N
XLogP0.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of (1S)-1-(1-methylpyrazol-3-yl)ethanol (CID 26370414) is (1S)-1-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(1-methylpyrazol-3-yl)ethanol is C[C@H](O)c1ccn(C)n1.
What is the InChIKey of (1S)-1-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is IYZHSRBTZXDIHP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-5,9H,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(1-methylpyrazol-3-yl)ethanol?
(1S)-1-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 126.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 26370414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).