tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate

C17H30N4O2 — CID 166399033

IUPACtert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate
SMILESCN(CCC1CC(NC(=O)OC(C)(C)C)C1)Cc1cnn(C)c1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)19-15-8-13(9-15)6-7-20(4)11-14-10-18-21(5)12-14/h10,12-13,15H,6-9,11H2,1-5H3,(H,19,22)
InChIKeyYLHDLWNRXZMVQG-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.55
Rot. Bonds6

About tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate

tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate (PubChem CID 166399033) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate
PubChem CID166399033
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate
SMILESCN(CCC1CC(NC(=O)OC(C)(C)C)C1)Cc1cnn(C)c1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)19-15-8-13(9-15)6-7-20(4)11-14-10-18-21(5)12-14/h10,12-13,15H,6-9,11H2,1-5H3,(H,19,22)
InChIKeyYLHDLWNRXZMVQG-UHFFFAOYSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
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tert-butyl 2-(1-methylpyrazol-4-yl)acetate
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5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
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tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
2,2-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanethioamide
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tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate (CID 166399033) is tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate is CN(CCC1CC(NC(=O)OC(C)(C)C)C1)Cc1cnn(C)c1.
What is the InChIKey of tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate?
The InChIKey is YLHDLWNRXZMVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)19-15-8-13(9-15)6-7-20(4)11-14-10-18-21(5)12-14/h10,12-13,15H,6-9,11H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate?
tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]cyclobutyl]carbamate is sourced from PubChem (CID 166399033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).