1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol

C12H14N2O2 — CID 155540342

IUPAC1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol
SMILESCn1nc(-c2ccccc2)cc1C(O)CO
InChIInChI=1S/C12H14N2O2/c1-14-11(12(16)8-15)7-10(13-14)9-5-3-2-4-6-9/h2-7,12,15-16H,8H2,1H3
InChIKeyCBUVYAIWXDKHAQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.11
Rot. Bonds3

About 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol

1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol (PubChem CID 155540342) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol
PubChem CID155540342
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol
SMILESCn1nc(-c2ccccc2)cc1C(O)CO
InChIInChI=1S/C12H14N2O2/c1-14-11(12(16)8-15)7-10(13-14)9-5-3-2-4-6-9/h2-7,12,15-16H,8H2,1H3
InChIKeyCBUVYAIWXDKHAQ-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol (CID 155540342) is 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol is Cn1nc(-c2ccccc2)cc1C(O)CO.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol?
The InChIKey is CBUVYAIWXDKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-11(12(16)8-15)7-10(13-14)9-5-3-2-4-6-9/h2-7,12,15-16H,8H2,1H3.
What are the key properties of 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol?
1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol has a molecular weight of 218.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylpyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155540342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).