2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

C12H20N4O2 — CID 114015226

IUPAC2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OCCN2CCCC2)c1N
InChIInChI=1S/C12H20N4O2/c1-9-10(13)11(15(2)14-9)12(17)18-8-7-16-5-3-4-6-16/h3-8,13H2,1-2H3
InChIKeyCAMLBDRZSWWBCE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.56
Rot. Bonds4

About 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 114015226) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID114015226
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OCCN2CCCC2)c1N
InChIInChI=1S/C12H20N4O2/c1-9-10(13)11(15(2)14-9)12(17)18-8-7-16-5-3-4-6-16/h3-8,13H2,1-2H3
InChIKeyCAMLBDRZSWWBCE-UHFFFAOYSA-N
XLogP0.56
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 114015226) is 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is Cc1nn(C)c(C(=O)OCCN2CCCC2)c1N.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is CAMLBDRZSWWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-10(13)11(15(2)14-9)12(17)18-8-7-16-5-3-4-6-16/h3-8,13H2,1-2H3.
What are the key properties of 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 114015226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).