tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate

C12H18N4O3 — CID 118060737

IUPACtert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate
SMILESCn1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)n1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-8-7-15(10(16)17)9-5-6-14(4)13-9/h5-6H,7-8H2,1-4H3
InChIKeyAEZGILOZSXVWDQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate

tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate (PubChem CID 118060737) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate
PubChem CID118060737
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nametert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate
SMILESCn1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)n1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-8-7-15(10(16)17)9-5-6-14(4)13-9/h5-6H,7-8H2,1-4H3
InChIKeyAEZGILOZSXVWDQ-UHFFFAOYSA-N
XLogP1.60
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(6-iodopyridazin-3-yl)-2-oxoimidazolidine-1-carboxylate
CID 59277172
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 3-(2-chloropyrimidin-4-yl)-2-oxoimidazolidine-1-carboxylate
CID 138595647
tert-butyl 3-(2-hydroxyethyl)-2-oxoimidazolidine-1-carboxylate
CID 23154589
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 3-methyl-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114465
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl 3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-2-oxoimidazolidine-1-carboxylate
CID 122533954
ditert-butyl 2-(4-aminophenyl)iminoimidazolidine-1,3-dicarboxylate
CID 24799647
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126
tert-butyl 4-(5-bromo-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 66863540
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate (CID 118060737) is tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate is Cn1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)n1.
What is the InChIKey of tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate?
The InChIKey is AEZGILOZSXVWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-8-7-15(10(16)17)9-5-6-14(4)13-9/h5-6H,7-8H2,1-4H3.
What are the key properties of tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate?
tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 118060737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).