tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate

C17H30N4O2 — CID 107256256

IUPACtert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
SMILESCCC1CCCC1NCc1cnn(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-6-12-8-7-9-14(12)18-10-13-11-19-21(5)15(13)20-16(22)23-17(2,3)4/h11-12,14,18H,6-10H2,1-5H3,(H,20,22)
InChIKeyKEWWOTKCBWQRNN-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate

tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate (PubChem CID 107256256) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
PubChem CID107256256
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
SMILESCCC1CCCC1NCc1cnn(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-6-12-8-7-9-14(12)18-10-13-11-19-21(5)15(13)20-16(22)23-17(2,3)4/h11-12,14,18H,6-10H2,1-5H3,(H,20,22)
InChIKeyKEWWOTKCBWQRNN-UHFFFAOYSA-N
XLogP3.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
CID 107256328
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1S,3S)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 99630915
tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
CID 107256358
tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
CID 107256246
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-[1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrazol-5-yl]carbamate
CID 107256290
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103700564
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate (CID 107256256) is tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate is CCC1CCCC1NCc1cnn(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
The InChIKey is KEWWOTKCBWQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-12-8-7-9-14(12)18-10-13-11-19-21(5)15(13)20-16(22)23-17(2,3)4/h11-12,14,18H,6-10H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 107256256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).