tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate

C14H24N4O3 — CID 30184302

IUPACtert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O3/c1-10(2)18-11(6-9-16-18)17-12(19)7-8-15-13(20)21-14(3,4)5/h6,9-10H,7-8H2,1-5H3,(H,15,20)(H,17,19)
InChIKeyWPPGEYKQCIERCC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.32
Rot. Bonds5

About tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate

tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate (PubChem CID 30184302) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
PubChem CID30184302
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O3/c1-10(2)18-11(6-9-16-18)17-12(19)7-8-15-13(20)21-14(3,4)5/h6,9-10H,7-8H2,1-5H3,(H,15,20)(H,17,19)
InChIKeyWPPGEYKQCIERCC-UHFFFAOYSA-N
XLogP2.32
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
CID 30181874
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
CID 30183849
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
tert-butyl N-[3-oxo-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]propyl]carbamate
CID 38714330
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
CID 122135229
2-amino-N-[2-(3,3-dimethylbutan-2-yl)pyrazol-3-yl]acetamide
CID 121209387
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78964876
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
CID 43442439

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate (CID 30184302) is tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate is CC(C)n1nccc1NC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate?
The InChIKey is WPPGEYKQCIERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)18-11(6-9-16-18)17-12(19)7-8-15-13(20)21-14(3,4)5/h6,9-10H,7-8H2,1-5H3,(H,15,20)(H,17,19).
What are the key properties of tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate is sourced from PubChem (CID 30184302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).