benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate

C20H28N4O2 — CID 103393240

IUPACbenzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate
SMILESCc1nn(C(C)C)c(C)c1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H28N4O2/c1-13(2)24-15(4)19(14(3)23-24)21-17-10-18(11-17)22-20(25)26-12-16-8-6-5-7-9-16/h5-9,13,17-18,21H,10-12H2,1-4H3,(H,22,25)
InChIKeyJYLXTJJHCFPVTR-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.95
Rot. Bonds6

About benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate

benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate (PubChem CID 103393240) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate
PubChem CID103393240
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Namebenzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate
SMILESCc1nn(C(C)C)c(C)c1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H28N4O2/c1-13(2)24-15(4)19(14(3)23-24)21-17-10-18(11-17)22-20(25)26-12-16-8-6-5-7-9-16/h5-9,13,17-18,21H,10-12H2,1-4H3,(H,22,25)
InChIKeyJYLXTJJHCFPVTR-UHFFFAOYSA-N
XLogP3.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]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

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(2-bromo-4,6-dimethylanilino)cyclobutyl]carbamate
CID 103393636
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 103393723
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[3-(2-cyano-6-methoxyanilino)cyclobutyl]carbamate
CID 107466968
benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 103393541
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate (CID 103393240) is benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate is Cc1nn(C(C)C)c(C)c1NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate?
The InChIKey is JYLXTJJHCFPVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)24-15(4)19(14(3)23-24)21-17-10-18(11-17)22-20(25)26-12-16-8-6-5-7-9-16/h5-9,13,17-18,21H,10-12H2,1-4H3,(H,22,25).
What are the key properties of benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate?
benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).