2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride

C11H20Cl2N4O — CID 119536549

IUPAC2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cn1cccn1)NCCC1CCNC1
InChIInChI=1S/C11H18N4O.2ClH/c16-11(9-15-7-1-4-14-15)13-6-3-10-2-5-12-8-10;;/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,13,16);2*1H
InChIKeyBUXUFGDGEYJKSG-UHFFFAOYSA-N
MW295.21 g/mol
LogP0.84
Rot. Bonds5

About 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride

2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride (PubChem CID 119536549) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
PubChem CID119536549
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cn1cccn1)NCCC1CCNC1
InChIInChI=1S/C11H18N4O.2ClH/c16-11(9-15-7-1-4-14-15)13-6-3-10-2-5-12-8-10;;/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,13,16);2*1H
InChIKeyBUXUFGDGEYJKSG-UHFFFAOYSA-N
XLogP0.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-4-yloxyethyl)-2-pyrazol-1-ylacetamide
CID 63869419
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537846
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557505
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557506
2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119555257
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
CID 119537644
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534155
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536552

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride (CID 119536549) is 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride is Cl.Cl.O=C(Cn1cccn1)NCCC1CCNC1.
What is the InChIKey of 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride?
The InChIKey is BUXUFGDGEYJKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c16-11(9-15-7-1-4-14-15)13-6-3-10-2-5-12-8-10;;/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,13,16);2*1H.
What are the key properties of 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride?
2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119536549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).