tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate

C23H26N4O3 — CID 55504999

IUPACtert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C23H26N4O3/c1-23(2,3)30-22(29)26-19-9-7-8-18(14-19)21(28)24-13-12-17-15-25-27(16-17)20-10-5-4-6-11-20/h4-11,14-16H,12-13H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyPRXLFVOTWJWVDD-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.19
Rot. Bonds6

About tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate

tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate (PubChem CID 55504999) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate
PubChem CID55504999
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Nametert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C23H26N4O3/c1-23(2,3)30-22(29)26-19-9-7-8-18(14-19)21(28)24-13-12-17-15-25-27(16-17)20-10-5-4-6-11-20/h4-11,14-16H,12-13H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyPRXLFVOTWJWVDD-UHFFFAOYSA-N
XLogP4.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 86988677
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate (CID 55504999) is tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate?
The InChIKey is PRXLFVOTWJWVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2,3)30-22(29)26-19-9-7-8-18(14-19)21(28)24-13-12-17-15-25-27(16-17)20-10-5-4-6-11-20/h4-11,14-16H,12-13H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate has a molecular weight of 406.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 55504999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).