N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride

C17H27Cl2N7O2 — CID 120880497

IUPACN-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)CC(=O)N1CCNCC1c1nccn1C)n1cccn1.Cl.Cl
InChIInChI=1S/C17H25N7O2.2ClH/c1-13(24-8-4-5-20-24)17(26)22(3)12-15(25)23-10-6-18-11-14(23)16-19-7-9-21(16)2;;/h4-5,7-9,13-14,18H,6,10-12H2,1-3H3;2*1H
InChIKeyDIFCVXLZVRMHCT-UHFFFAOYSA-N
MW432.36 g/mol
LogP0.65
Rot. Bonds5

About N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride

N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 120880497) has the molecular formula C17H27Cl2N7O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID120880497
Molecular FormulaC17H27Cl2N7O2
Molecular Weight432.36 g/mol
Exact Mass431.16
IUPAC NameN-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)CC(=O)N1CCNCC1c1nccn1C)n1cccn1.Cl.Cl
InChIInChI=1S/C17H25N7O2.2ClH/c1-13(24-8-4-5-20-24)17(26)22(3)12-15(25)23-10-6-18-11-14(23)16-19-7-9-21(16)2;;/h4-5,7-9,13-14,18H,6,10-12H2,1-3H3;2*1H
InChIKeyDIFCVXLZVRMHCT-UHFFFAOYSA-N
XLogP0.65
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120735854
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride (CID 120880497) is N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride is CC(C(=O)N(C)CC(=O)N1CCNCC1c1nccn1C)n1cccn1.Cl.Cl.
What is the InChIKey of N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is DIFCVXLZVRMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2.2ClH/c1-13(24-8-4-5-20-24)17(26)22(3)12-15(25)23-10-6-18-11-14(23)16-19-7-9-21(16)2;;/h4-5,7-9,13-14,18H,6,10-12H2,1-3H3;2*1H.
What are the key properties of N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 432.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 120880497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).