1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone

C19H24N4O3 — CID 5308216

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESCC1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1
InChIInChI=1S/C19H24N4O3/c1-14-4-5-16-15(11-14)12-23(20-16)13-18(24)21-6-8-22(9-7-21)19(25)17-3-2-10-26-17/h2-3,10,12,14H,4-9,11,13H2,1H3
InChIKeyMEYIIQGTPBOYCG-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.59
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone (PubChem CID 5308216) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
PubChem CID5308216
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESCC1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1
InChIInChI=1S/C19H24N4O3/c1-14-4-5-16-15(11-14)12-23(20-16)13-18(24)21-6-8-22(9-7-21)19(25)17-3-2-10-26-17/h2-3,10,12,14H,4-9,11,13H2,1H3
InChIKeyMEYIIQGTPBOYCG-UHFFFAOYSA-N
XLogP1.59
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone with MolForge

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Related Compounds

Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127034069
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079489
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 127034068
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2367657
1-{2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}chromeno[4,3-c]pyrazol-4(1H)-one
CID 3240181
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 5307406
[4-[1-(3-Fluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16023269
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 16191908
2-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-2-yl}ethanol
CID 16192229
[4-[3-(4-Fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16322920

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone (CID 5308216) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone is CC1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The InChIKey is MEYIIQGTPBOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-4-5-16-15(11-14)12-23(20-16)13-18(24)21-6-8-22(9-7-21)19(25)17-3-2-10-26-17/h2-3,10,12,14H,4-9,11,13H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone has a molecular weight of 356.43 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone is sourced from PubChem (CID 5308216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).