3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride

C7H12Cl2N4O — CID 146083007

IUPAC3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ccn[nH]2)C1=O
InChIInChI=1S/C7H10N4O.2ClH/c8-5-2-4-11(7(5)12)6-1-3-9-10-6;;/h1,3,5H,2,4,8H2,(H,9,10);2*1H
InChIKeyXWUPVPRGOWWBGE-UHFFFAOYSA-N
MW239.11 g/mol
LogP0.32
Rot. Bonds1

About 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride

3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride (PubChem CID 146083007) has the molecular formula C7H12Cl2N4O and a molecular weight of 239.11 g/mol. Its IUPAC name is 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride
PubChem CID146083007
Molecular FormulaC7H12Cl2N4O
Molecular Weight239.11 g/mol
Exact Mass238.04
IUPAC Name3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ccn[nH]2)C1=O
InChIInChI=1S/C7H10N4O.2ClH/c8-5-2-4-11(7(5)12)6-1-3-9-10-6;;/h1,3,5H,2,4,8H2,(H,9,10);2*1H
InChIKeyXWUPVPRGOWWBGE-UHFFFAOYSA-N
XLogP0.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride (CID 146083007) is 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.NC1CCN(c2ccn[nH]2)C1=O.
What is the InChIKey of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is XWUPVPRGOWWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O.2ClH/c8-5-2-4-11(7(5)12)6-1-3-9-10-6;;/h1,3,5H,2,4,8H2,(H,9,10);2*1H.
What are the key properties of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride?
3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 239.11 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 146083007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).