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

C11H16N4O3 — CID 43473877

IUPACmethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H16N4O3/c1-18-11(17)9-3-2-4-15(9)10(16)7-14-6-8(12)5-13-14/h5-6,9H,2-4,7,12H2,1H3
InChIKeyNWCHMILUMYCCMQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.37
Rot. Bonds3

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

methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43473877) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43473877
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H16N4O3/c1-18-11(17)9-3-2-4-15(9)10(16)7-14-6-8(12)5-13-14/h5-6,9H,2-4,7,12H2,1H3
InChIKeyNWCHMILUMYCCMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 43473877) is methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cn1cc(N)cn1.
What is the InChIKey of methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is NWCHMILUMYCCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-11(17)9-3-2-4-15(9)10(16)7-14-6-8(12)5-13-14/h5-6,9H,2-4,7,12H2,1H3.
What are the key properties of methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43473877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).