2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride

C11H20Cl2N4O — CID 119449670

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCc1cc(C)n(CC(=O)NC2CCNC2)n1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-8-5-9(2)15(14-8)7-11(16)13-10-3-4-12-6-10;;/h5,10,12H,3-4,6-7H2,1-2H3,(H,13,16);2*1H
InChIKeyYCQADHUEZUQFLL-UHFFFAOYSA-N
MW295.21 g/mol
LogP0.82
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride

2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119449670) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119449670
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCc1cc(C)n(CC(=O)NC2CCNC2)n1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-8-5-9(2)15(14-8)7-11(16)13-10-3-4-12-6-10;;/h5,10,12H,3-4,6-7H2,1-2H3,(H,13,16);2*1H
InChIKeyYCQADHUEZUQFLL-UHFFFAOYSA-N
XLogP0.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
2-(3,5-dimethylpyrazol-1-yl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62045029
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 63299515
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 167802867
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 155501773

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119449670) is 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride is Cc1cc(C)n(CC(=O)NC2CCNC2)n1.Cl.Cl.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is YCQADHUEZUQFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-8-5-9(2)15(14-8)7-11(16)13-10-3-4-12-6-10;;/h5,10,12H,3-4,6-7H2,1-2H3,(H,13,16);2*1H.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119449670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).