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

C17H30N4O2 — CID 103917664

IUPACtert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
SMILESCCc1nn(C)cc1CNC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-6-13-12(11-21(5)20-13)10-18-14-8-7-9-15(14)19-16(22)23-17(2,3)4/h11,14-15,18H,6-10H2,1-5H3,(H,19,22)
InChIKeyFJZQXNVBJVWPTI-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.52
Rot. Bonds5

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

tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate (PubChem CID 103917664) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
PubChem CID103917664
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
SMILESCCc1nn(C)cc1CNC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-6-13-12(11-21(5)20-13)10-18-14-8-7-9-15(14)19-16(22)23-17(2,3)4/h11,14-15,18H,6-10H2,1-5H3,(H,19,22)
InChIKeyFJZQXNVBJVWPTI-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 99604197
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
tert-butyl N-[(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107253311
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
CID 107462484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate (CID 103917664) is tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate is CCc1nn(C)cc1CNC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is FJZQXNVBJVWPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-13-12(11-21(5)20-13)10-18-14-8-7-9-15(14)19-16(22)23-17(2,3)4/h11,14-15,18H,6-10H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103917664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).