tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate

C16H28N4O2 — CID 99604197

IUPACtert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
SMILESCCc1nn(C)cc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-6-11-14(10-20(5)19-11)17-12-8-7-9-13(12)18-15(21)22-16(2,3)4/h10,12-13,17H,6-9H2,1-5H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyMHQOEITZBOHUAJ-STQMWFEESA-N
MW308.43 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate

tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate (PubChem CID 99604197) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
PubChem CID99604197
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
SMILESCCc1nn(C)cc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-6-11-14(10-20(5)19-11)17-12-8-7-9-13(12)18-15(21)22-16(2,3)4/h10,12-13,17H,6-9H2,1-5H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyMHQOEITZBOHUAJ-STQMWFEESA-N
XLogP2.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
CID 107462484
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclohexyl]carbamate
CID 94639619
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl 6-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 107463711
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate (CID 99604197) is tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate is CCc1nn(C)cc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The InChIKey is MHQOEITZBOHUAJ-STQMWFEESA-N. The full InChI is InChI=1S/C16H28N4O2/c1-6-11-14(10-20(5)19-11)17-12-8-7-9-13(12)18-15(21)22-16(2,3)4/h10,12-13,17H,6-9H2,1-5H3,(H,18,21)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 99604197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).