tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate

C20H21N3O2 — CID 2319260

IUPACtert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)25-19(24)21-17-14-23(16-12-8-5-9-13-16)22-18(17)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,21,24)
InChIKeyHBSNIRMEPHMTBQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.89
Rot. Bonds3

About tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate

tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate (PubChem CID 2319260) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate
PubChem CID2319260
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Nametert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)25-19(24)21-17-14-23(16-12-8-5-9-13-16)22-18(17)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,21,24)
InChIKeyHBSNIRMEPHMTBQ-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate (CID 2319260) is tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate?
The InChIKey is HBSNIRMEPHMTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)25-19(24)21-17-14-23(16-12-8-5-9-13-16)22-18(17)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate?
tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate has a molecular weight of 335.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-diphenylpyrazol-4-yl)carbamate is sourced from PubChem (CID 2319260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).