ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate

C12H18N4O3 — CID 55005608

IUPACethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)10-4-3-5-16(10)11(17)8-15-7-9(13)6-14-15/h6-7,10H,2-5,8,13H2,1H3
InChIKeyJFFSKIYCWMVQFJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.02
Rot. Bonds4

About ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 55005608) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID55005608
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)10-4-3-5-16(10)11(17)8-15-7-9(13)6-14-15/h6-7,10H,2-5,8,13H2,1H3
InChIKeyJFFSKIYCWMVQFJ-UHFFFAOYSA-N
XLogP0.02
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 45201699
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096778
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 55005608) is ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)Cn1cc(N)cn1.
What is the InChIKey of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is JFFSKIYCWMVQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)10-4-3-5-16(10)11(17)8-15-7-9(13)6-14-15/h6-7,10H,2-5,8,13H2,1H3.
What are the key properties of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55005608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).