(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate

C23H19N3O2 — CID 155801902

IUPAC(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
SMILESCc1cc(OC(=O)N(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H19N3O2/c1-18-17-22(26(24-18)21-15-9-4-10-16-21)28-23(27)25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyZFVOFCGHVGCRQA-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.52
Rot. Bonds4

About (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate

(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate (PubChem CID 155801902) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
PubChem CID155801902
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
SMILESCc1cc(OC(=O)N(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H19N3O2/c1-18-17-22(26(24-18)21-15-9-4-10-16-21)28-23(27)25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyZFVOFCGHVGCRQA-UHFFFAOYSA-N
XLogP5.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.52
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) N,N-diphenylcarbamate?
The IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate (CID 155801902) is (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate.
What is the SMILES notation for (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate?
The canonical SMILES for (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate is Cc1cc(OC(=O)N(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate?
The InChIKey is ZFVOFCGHVGCRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-18-17-22(26(24-18)21-15-9-4-10-16-21)28-23(27)25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3.
What are the key properties of (5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate?
(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate has a molecular weight of 369.42 g/mol, XLogP of 5.52, 4 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) N,N-diphenylcarbamate is sourced from PubChem (CID 155801902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).