2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol

C14H15N5O — CID 62887635

IUPAC2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccn(-c3ccccc3)n2)nn1
InChIInChI=1S/C14H15N5O/c20-9-7-12-10-18(17-15-12)11-13-6-8-19(16-13)14-4-2-1-3-5-14/h1-6,8,10,20H,7,9,11H2
InChIKeySOIVAYIBBMMCFK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.05
Rot. Bonds5

About 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol

2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol (PubChem CID 62887635) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
PubChem CID62887635
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccn(-c3ccccc3)n2)nn1
InChIInChI=1S/C14H15N5O/c20-9-7-12-10-18(17-15-12)11-13-6-8-19(16-13)14-4-2-1-3-5-14/h1-6,8,10,20H,7,9,11H2
InChIKeySOIVAYIBBMMCFK-UHFFFAOYSA-N
XLogP1.05
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol (CID 62887635) is 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2ccn(-c3ccccc3)n2)nn1.
What is the InChIKey of 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is SOIVAYIBBMMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-9-7-12-10-18(17-15-12)11-13-6-8-19(16-13)14-4-2-1-3-5-14/h1-6,8,10,20H,7,9,11H2.
What are the key properties of 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62887635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).