tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate

C18H32N4O2 — CID 86784061

IUPACtert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate
SMILESCc1c(C(C)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C18H32N4O2/c1-12(14-11-19-22(6)13(14)2)20-15-9-7-8-10-16(15)21-17(23)24-18(3,4)5/h11-12,15-16,20H,7-10H2,1-6H3,(H,21,23)/t12?,15-,16-/m1/s1
InChIKeyQROCINNRIBVTNA-XHAYOOOLSA-N
MW336.48 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate

tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate (PubChem CID 86784061) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate
PubChem CID86784061
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate
SMILESCc1c(C(C)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C18H32N4O2/c1-12(14-11-19-22(6)13(14)2)20-15-9-7-8-10-16(15)21-17(23)24-18(3,4)5/h11-12,15-16,20H,7-10H2,1-6H3,(H,21,23)/t12?,15-,16-/m1/s1
InChIKeyQROCINNRIBVTNA-XHAYOOOLSA-N
XLogP3.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]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

tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate
CID 164630510
tert-butyl N-[[5-[[[(2S)-2-cyanopropyl]amino]methyl]-1-methylpyrazol-4-yl]methyl]carbamate
CID 164636991
tert-butyl N-[2-[4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
CID 174909801
ethyl N-[3-(1,3-dimethylpyrazol-4-yl)propyl]carbamate
CID 101513376
ethyl N-[3-[3-methyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]carbamate
CID 101513377
tert-butyl N-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 104955536
tert-butyl N-[2-[(2,2-difluoroethylamino)methyl]-3-(1,5-dimethylpyrazol-4-yl)propyl]carbamate
CID 126838024
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-fluoroethylamino)propyl]carbamate
CID 154764666
tert-butyl N-{2-amino-3-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propyl}carbamate
CID 165620958
tert-butyl N-{1-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-yl}carbamate
CID 165622225
tert-butyl N-{2-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propyl}carbamate
CID 165622226
tert-butyl N-{1-amino-3-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propan-2-yl}carbamate
CID 165652728

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate (CID 86784061) is tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate is Cc1c(C(C)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cnn1C.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate?
The InChIKey is QROCINNRIBVTNA-XHAYOOOLSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-12(14-11-19-22(6)13(14)2)20-15-9-7-8-10-16(15)21-17(23)24-18(3,4)5/h11-12,15-16,20H,7-10H2,1-6H3,(H,21,23)/t12?,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 86784061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).