tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate

C13H22N4O2 — CID 107237572

IUPACtert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1ccn[nH]1
InChIInChI=1S/C13H22N4O2/c1-8(9-5-6-14-17-9)15-10-7-11(10)16-12(18)19-13(2,3)4/h5-6,8,10-11,15H,7H2,1-4H3,(H,14,17)(H,16,18)
InChIKeyLTNWZZNAVWVHGY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.73
Rot. Bonds4

About tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate (PubChem CID 107237572) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
PubChem CID107237572
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1ccn[nH]1
InChIInChI=1S/C13H22N4O2/c1-8(9-5-6-14-17-9)15-10-7-11(10)16-12(18)19-13(2,3)4/h5-6,8,10-11,15H,7H2,1-4H3,(H,14,17)(H,16,18)
InChIKeyLTNWZZNAVWVHGY-UHFFFAOYSA-N
XLogP1.73
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510
tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107255144
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107238193
tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
CID 107238045
tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237507
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate
CID 107243829
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate (CID 107237572) is tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate is CC(NC1CC1NC(=O)OC(C)(C)C)c1ccn[nH]1.
What is the InChIKey of tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate?
The InChIKey is LTNWZZNAVWVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(9-5-6-14-17-9)15-10-7-11(10)16-12(18)19-13(2,3)4/h5-6,8,10-11,15H,7H2,1-4H3,(H,14,17)(H,16,18).
What are the key properties of tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).