N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C15H28Cl2N6O2 — CID 119893042

IUPACN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCN(C)CCNC(=O)Cn1cc(NC(=O)CC2CCCN2)cn1.Cl.Cl
InChIInChI=1S/C15H26N6O2.2ClH/c1-20(2)7-6-17-15(23)11-21-10-13(9-18-21)19-14(22)8-12-4-3-5-16-12;;/h9-10,12,16H,3-8,11H2,1-2H3,(H,17,23)(H,19,22);2*1H
InChIKeyGWQITCWITWYXFG-UHFFFAOYSA-N
MW395.34 g/mol
LogP0.49
Rot. Bonds8

About N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119893042) has the molecular formula C15H28Cl2N6O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119893042
Molecular FormulaC15H28Cl2N6O2
Molecular Weight395.34 g/mol
Exact Mass394.17
IUPAC NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCN(C)CCNC(=O)Cn1cc(NC(=O)CC2CCCN2)cn1.Cl.Cl
InChIInChI=1S/C15H26N6O2.2ClH/c1-20(2)7-6-17-15(23)11-21-10-13(9-18-21)19-14(22)8-12-4-3-5-16-12;;/h9-10,12,16H,3-8,11H2,1-2H3,(H,17,23)(H,19,22);2*1H
InChIKeyGWQITCWITWYXFG-UHFFFAOYSA-N
XLogP0.49
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942368
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119792885
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800877
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770919
3-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954060
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119893042) is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CN(C)CCNC(=O)Cn1cc(NC(=O)CC2CCCN2)cn1.Cl.Cl.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is GWQITCWITWYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2.2ClH/c1-20(2)7-6-17-15(23)11-21-10-13(9-18-21)19-14(22)8-12-4-3-5-16-12;;/h9-10,12,16H,3-8,11H2,1-2H3,(H,17,23)(H,19,22);2*1H.
What are the key properties of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 395.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).