2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

C11H17N5O3 — CID 66125006

IUPAC2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OCCN2CCNC2=O)c1N
InChIInChI=1S/C11H17N5O3/c1-7-8(12)9(15(2)14-7)10(17)19-6-5-16-4-3-13-11(16)18/h3-6,12H2,1-2H3,(H,13,18)
InChIKeyDQIHJOFPNMFERC-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.51
Rot. Bonds4

About 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 66125006) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID66125006
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OCCN2CCNC2=O)c1N
InChIInChI=1S/C11H17N5O3/c1-7-8(12)9(15(2)14-7)10(17)19-6-5-16-4-3-13-11(16)18/h3-6,12H2,1-2H3,(H,13,18)
InChIKeyDQIHJOFPNMFERC-UHFFFAOYSA-N
XLogP-0.51
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 66125006) is 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is Cc1nn(C)c(C(=O)OCCN2CCNC2=O)c1N.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is DQIHJOFPNMFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7-8(12)9(15(2)14-7)10(17)19-6-5-16-4-3-13-11(16)18/h3-6,12H2,1-2H3,(H,13,18).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 267.29 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 66125006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).