4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride

C8H14Cl2N4O — CID 102567267

IUPAC4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CC(N)CC2=O)cn1
InChIInChI=1S/C8H12N4O.2ClH/c1-11-5-7(3-10-11)12-4-6(9)2-8(12)13;;/h3,5-6H,2,4,9H2,1H3;2*1H
InChIKeyBQIFATKQCXUEBR-UHFFFAOYSA-N
MW253.13 g/mol
LogP0.33
Rot. Bonds1

About 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride

4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride (PubChem CID 102567267) has the molecular formula C8H14Cl2N4O and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride
PubChem CID102567267
Molecular FormulaC8H14Cl2N4O
Molecular Weight253.13 g/mol
Exact Mass252.05
IUPAC Name4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CC(N)CC2=O)cn1
InChIInChI=1S/C8H12N4O.2ClH/c1-11-5-7(3-10-11)12-4-6(9)2-8(12)13;;/h3,5-6H,2,4,9H2,1H3;2*1H
InChIKeyBQIFATKQCXUEBR-UHFFFAOYSA-N
XLogP0.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride (CID 102567267) is 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.Cn1cc(N2CC(N)CC2=O)cn1.
What is the InChIKey of 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is BQIFATKQCXUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.2ClH/c1-11-5-7(3-10-11)12-4-6(9)2-8(12)13;;/h3,5-6H,2,4,9H2,1H3;2*1H.
What are the key properties of 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride?
4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 102567267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).