tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane

C16H30N4O2 — CID 144695482

IUPACtert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C14H24N4O2.C2H6/c1-14(2,3)20-13(19)17-11-4-6-12(7-5-11)18-9-10(15)8-16-18;1-2/h8-9,11-12H,4-7,15H2,1-3H3,(H,17,19);1-2H3
InChIKeyPELKSWXOXFQYQF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane

tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane (PubChem CID 144695482) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane
PubChem CID144695482
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C14H24N4O2.C2H6/c1-14(2,3)20-13(19)17-11-4-6-12(7-5-11)18-9-10(15)8-16-18;1-2/h8-9,11-12H,4-7,15H2,1-3H3,(H,17,19);1-2H3
InChIKeyPELKSWXOXFQYQF-UHFFFAOYSA-N
XLogP3.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane 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

tert-butyl N-[3-(4-iodopyrazol-1-yl)cyclohexyl]carbamate
CID 118227254
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-yl]carbamate
CID 122613808
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769
tert-butyl N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]carbamate
CID 172628112
[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]pyrazol-4-yl]oxyboronic acid
CID 131744195
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane (CID 144695482) is tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane is CC.CC(C)(C)OC(=O)NC1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane?
The InChIKey is PELKSWXOXFQYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.C2H6/c1-14(2,3)20-13(19)17-11-4-6-12(7-5-11)18-9-10(15)8-16-18;1-2/h8-9,11-12H,4-7,15H2,1-3H3,(H,17,19);1-2H3.
What are the key properties of tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane?
tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane has a molecular weight of 310.44 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-aminopyrazol-1-yl)cyclohexyl]carbamate;ethane is sourced from PubChem (CID 144695482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).