2-(5-anilino-3-methylpyrazol-1-yl)ethanol

C12H15N3O — CID 2356877

IUPAC2-(5-anilino-3-methylpyrazol-1-yl)ethanol
SMILESCc1cc(Nc2ccccc2)n(CCO)n1
InChIInChI=1S/C12H15N3O/c1-10-9-12(15(14-10)7-8-16)13-11-5-3-2-4-6-11/h2-6,9,13,16H,7-8H2,1H3
InChIKeyOGQZEUPMGAQCLG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

About 2-(5-anilino-3-methylpyrazol-1-yl)ethanol

2-(5-anilino-3-methylpyrazol-1-yl)ethanol (PubChem CID 2356877) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-anilino-3-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-anilino-3-methylpyrazol-1-yl)ethanol
PubChem CID2356877
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-anilino-3-methylpyrazol-1-yl)ethanol
SMILESCc1cc(Nc2ccccc2)n(CCO)n1
InChIInChI=1S/C12H15N3O/c1-10-9-12(15(14-10)7-8-16)13-11-5-3-2-4-6-11/h2-6,9,13,16H,7-8H2,1H3
InChIKeyOGQZEUPMGAQCLG-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-anilino-3-methylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-anilino-3-methylpyrazol-1-yl)ethanol (CID 2356877) is 2-(5-anilino-3-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-anilino-3-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-anilino-3-methylpyrazol-1-yl)ethanol is Cc1cc(Nc2ccccc2)n(CCO)n1.
What is the InChIKey of 2-(5-anilino-3-methylpyrazol-1-yl)ethanol?
The InChIKey is OGQZEUPMGAQCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10-9-12(15(14-10)7-8-16)13-11-5-3-2-4-6-11/h2-6,9,13,16H,7-8H2,1H3.
What are the key properties of 2-(5-anilino-3-methylpyrazol-1-yl)ethanol?
2-(5-anilino-3-methylpyrazol-1-yl)ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-3-methylpyrazol-1-yl)ethanol is sourced from PubChem (CID 2356877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).