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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Related Compounds

tert-Butyl-4-[1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxylate
CID 44588426
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylamide
CID 1345642
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
CID 2104090
2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide
CID 2319244
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
3-[2-({[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16189204
tert-butyl N-[4-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]pyrazol-1-yl]methyl]phenyl]carbamate
CID 53362595
propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
CID 155518798
tert-butyl N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamate
CID 46916304
2-chloro-N-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 2104089
3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-phenylacrylamide
CID 2173124

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).