N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H21ClN6O — CID 119795067

IUPACN-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-2-21-15(18-19-20-21)11-5-3-6-13(9-11)17-14(22)10-12-7-4-8-16-12;/h3,5-6,9,12,16H,2,4,7-8,10H2,1H3,(H,17,22);1H
InChIKeyKCAHALLENKMLQW-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.86
Rot. Bonds5

About N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119795067) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119795067
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-2-21-15(18-19-20-21)11-5-3-6-13(9-11)17-14(22)10-12-7-4-8-16-12;/h3,5-6,9,12,16H,2,4,7-8,10H2,1H3,(H,17,22);1H
InChIKeyKCAHALLENKMLQW-UHFFFAOYSA-N
XLogP1.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119741040
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137389
2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137391
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119795067) is N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CCn1nnnc1-c1cccc(NC(=O)CC2CCCN2)c1.Cl.
What is the InChIKey of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is KCAHALLENKMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c1-2-21-15(18-19-20-21)11-5-3-6-13(9-11)17-14(22)10-12-7-4-8-16-12;/h3,5-6,9,12,16H,2,4,7-8,10H2,1H3,(H,17,22);1H.
What are the key properties of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119795067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).