N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride

C14H25ClN4O2 — CID 119537028

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
SMILESCc1nn(C)c(C)c1OCC(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-10-14(11(2)18(3)17-10)20-9-13(19)16-7-5-12-4-6-15-8-12;/h12,15H,4-9H2,1-3H3,(H,16,19);1H
InChIKeyVCKQBJWNGRVWDT-UHFFFAOYSA-N
MW316.83 g/mol
LogP0.95
Rot. Bonds6

About N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride (PubChem CID 119537028) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
PubChem CID119537028
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
SMILESCc1nn(C)c(C)c1OCC(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-10-14(11(2)18(3)17-10)20-9-13(19)16-7-5-12-4-6-15-8-12;/h12,15H,4-9H2,1-3H3,(H,16,19);1H
InChIKeyVCKQBJWNGRVWDT-UHFFFAOYSA-N
XLogP0.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119538066
1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119534871
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970941
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride (CID 119537028) is N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride is Cc1nn(C)c(C)c1OCC(=O)NCCC1CCNC1.Cl.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The InChIKey is VCKQBJWNGRVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-10-14(11(2)18(3)17-10)20-9-13(19)16-7-5-12-4-6-15-8-12;/h12,15H,4-9H2,1-3H3,(H,16,19);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride is sourced from PubChem (CID 119537028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).