tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate

C14H24N4O3 — CID 118531075

IUPACtert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate
SMILESCc1cnn(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H24N4O3/c1-11-9-15-18(10-11)12(19)16(5)7-8-17(6)13(20)21-14(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyOGWFKBLFWLXJQC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate (PubChem CID 118531075) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate
PubChem CID118531075
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate
SMILESCc1cnn(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H24N4O3/c1-11-9-15-18(10-11)12(19)16(5)7-8-17(6)13(20)21-14(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyOGWFKBLFWLXJQC-UHFFFAOYSA-N
XLogP1.96
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Shi-14
CID 118526667
Shi-17
CID 118526814
Shi-13
CID 118526888
Shi-20
CID 118531131
Shi-16
CID 118526607
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate
CID 118526591
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
CID 118526761
tert-butyl N-[2-[(4-cyanopyrazole-1-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 118531127
tert-butyl 4-ethynyl-1H-pyrazole-1-carboxylate
CID 45382264
tert-butyl 4-methyl-1H-pyrazole-1-carboxylate
CID 23021524
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 118526777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate (CID 118531075) is tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate is Cc1cnn(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate?
The InChIKey is OGWFKBLFWLXJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-11-9-15-18(10-11)12(19)16(5)7-8-17(6)13(20)21-14(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 118531075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).