N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride

C9H16Cl2N4O — CID 86767537

IUPACN-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride
SMILESCC(=O)Nc1ccn(C2CCNC2)n1.Cl.Cl
InChIInChI=1S/C9H14N4O.2ClH/c1-7(14)11-9-3-5-13(12-9)8-2-4-10-6-8;;/h3,5,8,10H,2,4,6H2,1H3,(H,11,12,14);2*1H
InChIKeyAUCRIIZWIPBYLO-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.22
Rot. Bonds2

About N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride

N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride (PubChem CID 86767537) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride
PubChem CID86767537
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC NameN-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride
SMILESCC(=O)Nc1ccn(C2CCNC2)n1.Cl.Cl
InChIInChI=1S/C9H14N4O.2ClH/c1-7(14)11-9-3-5-13(12-9)8-2-4-10-6-8;;/h3,5,8,10H,2,4,6H2,1H3,(H,11,12,14);2*1H
InChIKeyAUCRIIZWIPBYLO-UHFFFAOYSA-N
XLogP1.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride (CID 86767537) is N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride is CC(=O)Nc1ccn(C2CCNC2)n1.Cl.Cl.
What is the InChIKey of N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride?
The InChIKey is AUCRIIZWIPBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c1-7(14)11-9-3-5-13(12-9)8-2-4-10-6-8;;/h3,5,8,10H,2,4,6H2,1H3,(H,11,12,14);2*1H.
What are the key properties of N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride?
N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 86767537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).