tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate

C15H27N3O3 — CID 123459626

IUPACtert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate
SMILESCCC(CC)n1[nH]c(CN(C)C(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C15H27N3O3/c1-7-12(8-2)18-13(19)9-11(16-18)10-17(6)14(20)21-15(3,4)5/h9,12,16H,7-8,10H2,1-6H3
InChIKeyDHMAFTRQMWLARK-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate

tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate (PubChem CID 123459626) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate
PubChem CID123459626
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate
SMILESCCC(CC)n1[nH]c(CN(C)C(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C15H27N3O3/c1-7-12(8-2)18-13(19)9-11(16-18)10-17(6)14(20)21-15(3,4)5/h9,12,16H,7-8,10H2,1-6H3
InChIKeyDHMAFTRQMWLARK-UHFFFAOYSA-N
XLogP2.90
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate
CID 118875925
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tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
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2-bromo-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59404716
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
CID 107242386
tert-butyl N-[(3-ethynyl-4-fluorophenyl)methyl]-N-methylcarbamate
CID 176508120
methyl 2-amino-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58018330
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
chloro-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenoxy]-sulfanylidenephosphanium
CID 171418956
methyl 3-methyl-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]butanoate
CID 177063985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate (CID 123459626) is tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate is CCC(CC)n1[nH]c(CN(C)C(=O)OC(C)(C)C)cc1=O.
What is the InChIKey of tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate?
The InChIKey is DHMAFTRQMWLARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-7-12(8-2)18-13(19)9-11(16-18)10-17(6)14(20)21-15(3,4)5/h9,12,16H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3-oxo-2-pentan-3-yl-1H-pyrazol-5-yl)methyl]carbamate is sourced from PubChem (CID 123459626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).