2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone

C26H27N7O — CID 147754209

IUPAC2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
SMILESCN(C)CC[C@@H](c1ccccc1)n1cc(CC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1
InChIInChI=1S/C26H27N7O/c1-32(2)11-10-24(19-6-4-3-5-7-19)33-17-18(14-29-33)12-25(34)26-22-9-8-20(13-23(22)30-31-26)21-15-27-28-16-21/h3-9,13-17,24H,10-12H2,1-2H3,(H,27,28)(H,30,31)/t24-/m0/s1
InChIKeyHCUFYQKUUOFLTG-DEOSSOPVSA-N
MW453.55 g/mol
LogP4.12
Rot. Bonds9

About 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone

2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone (PubChem CID 147754209) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
PubChem CID147754209
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
SMILESCN(C)CC[C@@H](c1ccccc1)n1cc(CC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1
InChIInChI=1S/C26H27N7O/c1-32(2)11-10-24(19-6-4-3-5-7-19)33-17-18(14-29-33)12-25(34)26-22-9-8-20(13-23(22)30-31-26)21-15-27-28-16-21/h3-9,13-17,24H,10-12H2,1-2H3,(H,27,28)(H,30,31)/t24-/m0/s1
InChIKeyHCUFYQKUUOFLTG-DEOSSOPVSA-N
XLogP4.12
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259598
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-[1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267318
N-[1-[(1R)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267326
3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
CID 127052113
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
The IUPAC name of 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone (CID 147754209) is 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone.
What is the SMILES notation for 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
The canonical SMILES for 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone is CN(C)CC[C@@H](c1ccccc1)n1cc(CC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1.
What is the InChIKey of 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
The InChIKey is HCUFYQKUUOFLTG-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H27N7O/c1-32(2)11-10-24(19-6-4-3-5-7-19)33-17-18(14-29-33)12-25(34)26-22-9-8-20(13-23(22)30-31-26)21-15-27-28-16-21/h3-9,13-17,24H,10-12H2,1-2H3,(H,27,28)(H,30,31)/t24-/m0/s1.
What are the key properties of 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone has a molecular weight of 453.55 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone is sourced from PubChem (CID 147754209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).