2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone

C24H26N4O2 — CID 20880091

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3ncc4c3-c3ccccc3OC4)CC2C)c1
InChIInChI=1S/C24H26N4O2/c1-17-6-5-7-20(12-17)27-11-10-26(14-18(27)2)23(29)15-28-24-19(13-25-28)16-30-22-9-4-3-8-21(22)24/h3-9,12-13,18H,10-11,14-16H2,1-2H3
InChIKeyOEXZHTIMIVJKTR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.49
Rot. Bonds3

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 20880091) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID20880091
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3ncc4c3-c3ccccc3OC4)CC2C)c1
InChIInChI=1S/C24H26N4O2/c1-17-6-5-7-20(12-17)27-11-10-26(14-18(27)2)23(29)15-28-24-19(13-25-28)16-30-22-9-4-3-8-21(22)24/h3-9,12-13,18H,10-11,14-16H2,1-2H3
InChIKeyOEXZHTIMIVJKTR-UHFFFAOYSA-N
XLogP3.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 20880042
3-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 136914669
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 20880071
3-methyl-5-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazino[4,5-b]indol-4-one
CID 95059152
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone;ethane
CID 142843212
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 20851364
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 20880091) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cn3ncc4c3-c3ccccc3OC4)CC2C)c1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is OEXZHTIMIVJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-6-5-7-20(12-17)27-11-10-26(14-18(27)2)23(29)15-28-24-19(13-25-28)16-30-22-9-4-3-8-21(22)24/h3-9,12-13,18H,10-11,14-16H2,1-2H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20880091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).