tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate

C17H30N4O2 — CID 106834289

IUPACtert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
SMILESCn1nccc1CNC(CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)19-12-15(13-7-5-6-8-13)18-11-14-9-10-20-21(14)4/h9-10,13,15,18H,5-8,11-12H2,1-4H3,(H,19,22)
InChIKeyWTTIKHBWRHJTKG-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.59
Rot. Bonds6

About tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate

tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate (PubChem CID 106834289) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
PubChem CID106834289
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
SMILESCn1nccc1CNC(CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)19-12-15(13-7-5-6-8-13)18-11-14-9-10-20-21(14)4/h9-10,13,15,18H,5-8,11-12H2,1-4H3,(H,19,22)
InChIKeyWTTIKHBWRHJTKG-UHFFFAOYSA-N
XLogP2.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 106834314
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
CID 107254453
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[2-cyclopentyl-2-[(3-methylfuran-2-yl)methylamino]ethyl]carbamate
CID 106834316
tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
CID 99801513
tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
CID 106834309
tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
CID 103922943
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate
CID 103720598
tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107251850
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-cyclopropyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]carbamate
CID 107251824

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate (CID 106834289) is tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate is Cn1nccc1CNC(CNC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate?
The InChIKey is WTTIKHBWRHJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)19-12-15(13-7-5-6-8-13)18-11-14-9-10-20-21(14)4/h9-10,13,15,18H,5-8,11-12H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate?
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 106834289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).