(5-methyl-2-phenylpyrazol-3-yl) benzoate

C17H14N2O2 — CID 569570

IUPAC(5-methyl-2-phenylpyrazol-3-yl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O2/c1-13-12-16(19(18-13)15-10-6-3-7-11-15)21-17(20)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyYVVNCZNGWZHOGZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.40
Rot. Bonds3

About (5-methyl-2-phenylpyrazol-3-yl) benzoate

(5-methyl-2-phenylpyrazol-3-yl) benzoate (PubChem CID 569570) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazol-3-yl) benzoate.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazol-3-yl) benzoate
PubChem CID569570
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(5-methyl-2-phenylpyrazol-3-yl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O2/c1-13-12-16(19(18-13)15-10-6-3-7-11-15)21-17(20)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyYVVNCZNGWZHOGZ-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) benzoate?
The IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) benzoate (CID 569570) is (5-methyl-2-phenylpyrazol-3-yl) benzoate.
What is the SMILES notation for (5-methyl-2-phenylpyrazol-3-yl) benzoate?
The canonical SMILES for (5-methyl-2-phenylpyrazol-3-yl) benzoate is Cc1cc(OC(=O)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of (5-methyl-2-phenylpyrazol-3-yl) benzoate?
The InChIKey is YVVNCZNGWZHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-13-12-16(19(18-13)15-10-6-3-7-11-15)21-17(20)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of (5-methyl-2-phenylpyrazol-3-yl) benzoate?
(5-methyl-2-phenylpyrazol-3-yl) benzoate has a molecular weight of 278.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylpyrazol-3-yl) benzoate is sourced from PubChem (CID 569570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).