tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate

C13H23N5O3 — CID 115606254

IUPACtert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
SMILESCNC(=O)Cn1cc(NCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H23N5O3/c1-13(2,3)21-12(20)16-6-5-15-10-7-17-18(8-10)9-11(19)14-4/h7-8,15H,5-6,9H2,1-4H3,(H,14,19)(H,16,20)
InChIKeyBYTBDLUQNGOZBE-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.57
Rot. Bonds6

About tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate (PubChem CID 115606254) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
PubChem CID115606254
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Nametert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
SMILESCNC(=O)Cn1cc(NCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H23N5O3/c1-13(2,3)21-12(20)16-6-5-15-10-7-17-18(8-10)9-11(19)14-4/h7-8,15H,5-6,9H2,1-4H3,(H,14,19)(H,16,20)
InChIKeyBYTBDLUQNGOZBE-UHFFFAOYSA-N
XLogP0.57
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
CID 115735732
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide
CID 127266991
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 78928765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate (CID 115606254) is tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate is CNC(=O)Cn1cc(NCCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate?
The InChIKey is BYTBDLUQNGOZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-13(2,3)21-12(20)16-6-5-15-10-7-17-18(8-10)9-11(19)14-4/h7-8,15H,5-6,9H2,1-4H3,(H,14,19)(H,16,20).
What are the key properties of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 115606254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).