1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone

C24H26N4O — CID 147620278

IUPAC1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCCCCCc1cccc(Cn2cc(CC(=O)c3n[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C24H26N4O/c1-2-3-4-8-18-9-7-10-19(13-18)16-28-17-20(15-25-28)14-23(29)24-21-11-5-6-12-22(21)26-27-24/h5-7,9-13,15,17H,2-4,8,14,16H2,1H3,(H,26,27)
InChIKeyGDSUEBKYTAZQBV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.97
Rot. Bonds9

About 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone

1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone (PubChem CID 147620278) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone
PubChem CID147620278
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCCCCCc1cccc(Cn2cc(CC(=O)c3n[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C24H26N4O/c1-2-3-4-8-18-9-7-10-19(13-18)16-28-17-20(15-25-28)14-23(29)24-21-11-5-6-12-22(21)26-27-24/h5-7,9-13,15,17H,2-4,8,14,16H2,1H3,(H,26,27)
InChIKeyGDSUEBKYTAZQBV-UHFFFAOYSA-N
XLogP4.97
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
Gne-9822
CID 74983355
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(1H-indazol-5-yl)methanone
CID 49866041
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
Maleimide derivative, 4
CID 22592015
N-[1-[(1R)-2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645541
N-[1-[(1S)-3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645544
6,6-dimethyl-N-[1-[(S)-phenyl(piperidin-4-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645546

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone (CID 147620278) is 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone is CCCCCc1cccc(Cn2cc(CC(=O)c3n[nH]c4ccccc34)cn2)c1.
What is the InChIKey of 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone?
The InChIKey is GDSUEBKYTAZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-3-4-8-18-9-7-10-19(13-18)16-28-17-20(15-25-28)14-23(29)24-21-11-5-6-12-22(21)26-27-24/h5-7,9-13,15,17H,2-4,8,14,16H2,1H3,(H,26,27).
What are the key properties of 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone?
1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-2-[1-[(3-pentylphenyl)methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 147620278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).