tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate

C14H24N4O2 — CID 107238841

IUPACtert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccn[nH]1
InChIInChI=1S/C14H24N4O2/c1-9(12-5-6-15-18-12)16-10-7-11(8-10)17-13(19)20-14(2,3)4/h5-6,9-11,16H,7-8H2,1-4H3,(H,15,18)(H,17,19)
InChIKeyVDKSAIQCTJIDLJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 107238841) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
PubChem CID107238841
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccn[nH]1
InChIInChI=1S/C14H24N4O2/c1-9(12-5-6-15-18-12)16-10-7-11(8-10)17-13(19)20-14(2,3)4/h5-6,9-11,16H,7-8H2,1-4H3,(H,15,18)(H,17,19)
InChIKeyVDKSAIQCTJIDLJ-UHFFFAOYSA-N
XLogP2.12
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107255144
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
CID 79462025
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate
CID 167885406
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
tert-butyl N-[3-(1H-1,2,4-triazol-5-yl)cyclobutyl]carbamate
CID 122431420
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate (CID 107238841) is tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccn[nH]1.
What is the InChIKey of tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is VDKSAIQCTJIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(12-5-6-15-18-12)16-10-7-11(8-10)17-13(19)20-14(2,3)4/h5-6,9-11,16H,7-8H2,1-4H3,(H,15,18)(H,17,19).
What are the key properties of tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107238841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).