2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C19H27N5O — CID 75515496

IUPAC2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cccc(C)c1CNc1ccn(CC(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5O/c1-15-5-4-6-16(2)17(15)13-20-18-7-8-24(21-18)14-19(25)23-11-9-22(3)10-12-23/h4-8H,9-14H2,1-3H3,(H,20,21)
InChIKeyHSKHRNSQWYQBQU-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.89
Rot. Bonds5

About 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 75515496) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID75515496
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cccc(C)c1CNc1ccn(CC(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5O/c1-15-5-4-6-16(2)17(15)13-20-18-7-8-24(21-18)14-19(25)23-11-9-22(3)10-12-23/h4-8H,9-14H2,1-3H3,(H,20,21)
InChIKeyHSKHRNSQWYQBQU-UHFFFAOYSA-N
XLogP1.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
CID 166210562
1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
CID 167775582
1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone
CID 91463068
2-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66712519
6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210561
7-fluoro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166211812
[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 69374512
1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 19531415
N-[(2-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625907
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944390
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66401569

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 75515496) is 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is Cc1cccc(C)c1CNc1ccn(CC(=O)N2CCN(C)CC2)n1.
What is the InChIKey of 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HSKHRNSQWYQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-5-4-6-16(2)17(15)13-20-18-7-8-24(21-18)14-19(25)23-11-9-22(3)10-12-23/h4-8H,9-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 341.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 75515496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).