methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate

C10H14N4O3 — CID 168659533

IUPACmethyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N2CC(CN)CC2=O)n[nH]1
InChIInChI=1S/C10H14N4O3/c1-17-10(16)7-3-8(13-12-7)14-5-6(4-11)2-9(14)15/h3,6H,2,4-5,11H2,1H3,(H,12,13)
InChIKeyRMRHUYMVZGNMKL-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.49
Rot. Bonds3

About methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate

methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate (PubChem CID 168659533) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
PubChem CID168659533
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N2CC(CN)CC2=O)n[nH]1
InChIInChI=1S/C10H14N4O3/c1-17-10(16)7-3-8(13-12-7)14-5-6(4-11)2-9(14)15/h3,6H,2,4-5,11H2,1H3,(H,12,13)
InChIKeyRMRHUYMVZGNMKL-UHFFFAOYSA-N
XLogP-0.49
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-chlorobenzoate
CID 168659485
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-ethylthiophene-3-carboxylate
CID 168659364
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-bromobenzoate
CID 168659522
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
methyl 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-nitrobenzoate
CID 168659478
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-nitrobenzoate
CID 168659494
methyl 1-(5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693953
methyl 5-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168681086
4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate (CID 168659533) is methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate is COC(=O)c1cc(N2CC(CN)CC2=O)n[nH]1.
What is the InChIKey of methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate?
The InChIKey is RMRHUYMVZGNMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-10(16)7-3-8(13-12-7)14-5-6(4-11)2-9(14)15/h3,6H,2,4-5,11H2,1H3,(H,12,13).
What are the key properties of methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate?
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 168659533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).