methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)

C92H90N22O2 — CID 159664118

IUPACmethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)
SMILESCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2cccc3ccccc23)n[nH]1.Cc1cc(-c2cccc3ccccc23)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1
InChIInChI=1S/2C14H12N2.C13H11N3O2.2C12H11N3.3C9H11N3/c2*1-10-9-14(16-15-10)13-8-4-6-11-5-2-3-7-12(11)13;1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10;2*1-8-6-12(15-14-8)10-7-13-11-5-3-2-4-9(10)11;3*1-7-6-8(11-10-7)9-4-3-5-12(9)2/h2*2-9H,1H3,(H,15,16);2-7,14H,1H3,(H,15,16);2*2-7,13H,1H3,(H,14,15);3*3-6H,1-2H3,(H,10,11)
InChIKeyMTELMDIHVJWACJ-UHFFFAOYSA-N
MW1535.88 g/mol
LogP20.32
Rot. Bonds9

About methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)

methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole) (PubChem CID 159664118) has the molecular formula C92H90N22O2 and a molecular weight of 1535.88 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole).

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)
PubChem CID159664118
Molecular FormulaC92H90N22O2
Molecular Weight1535.88 g/mol
Exact Mass1534.76
IUPAC Namemethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)
SMILESCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2cccc3ccccc23)n[nH]1.Cc1cc(-c2cccc3ccccc23)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1
InChIInChI=1S/2C14H12N2.C13H11N3O2.2C12H11N3.3C9H11N3/c2*1-10-9-14(16-15-10)13-8-4-6-11-5-2-3-7-12(11)13;1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10;2*1-8-6-12(15-14-8)10-7-13-11-5-3-2-4-9(10)11;3*1-7-6-8(11-10-7)9-4-3-5-12(9)2/h2*2-9H,1H3,(H,15,16);2-7,14H,1H3,(H,15,16);2*2-7,13H,1H3,(H,14,15);3*3-6H,1-2H3,(H,10,11)
InChIKeyMTELMDIHVJWACJ-UHFFFAOYSA-N
XLogP20.32
TPSA317.90 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001535.88
LogP ≤ 520.32
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Analyze methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole) with MolForge

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Related Compounds

methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
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methyl 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylate
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ethyl 3-[1-(naphthalen-1-ylmethyl)-4-phenylpyrrol-3-yl]-1H-pyrazole-5-carboxylate
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[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 136367387
[3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 136367388
5-(3-benzylpyrrolidin-3-yl)-N-tert-butyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-indazole;1-[5-(3-benzylpyrrolidin-3-yl)-1H-indol-2-yl]-2,2,2-trifluoroethanone;5-(3-benzylpyrrolidin-3-yl)-N-methyl-1H-indole-2-carboxamide;N-[4-(3-benzylpyrrolidin-3-yl)phenyl]acetamide;(1R)-2-[(3S)-3-(1H-indol-5-yl)pyrrolidin-3-yl]-1-phenylethanol;methyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate
CID 160155175
ethyl (19R,27S)-2,7,12,17-tetraphenyl-23,28,29,30,31-pentazaheptacyclo[16.9.1.13,6.18,11.113,16.019,27.021,25]hentriaconta-1(28),2,4,6,8(30),9,11,13,15,17,21,24-dodecaene-22-carboxylate
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CID 66776889
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)?
The IUPAC name of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole) (CID 159664118) is methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole).
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole) is COC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2c[nH]c3ccccc23)n[nH]1.Cc1cc(-c2cccc3ccccc23)n[nH]1.Cc1cc(-c2cccc3ccccc23)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.Cc1cc(-c2cccn2C)n[nH]1.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)?
The InChIKey is MTELMDIHVJWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2.C13H11N3O2.2C12H11N3.3C9H11N3/c2*1-10-9-14(16-15-10)13-8-4-6-11-5-2-3-7-12(11)13;1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10;2*1-8-6-12(15-14-8)10-7-13-11-5-3-2-4-9(10)11;3*1-7-6-8(11-10-7)9-4-3-5-12(9)2/h2*2-9H,1H3,(H,15,16);2-7,14H,1H3,(H,15,16);2*2-7,13H,1H3,(H,14,15);3*3-6H,1-2H3,(H,10,11).
What are the key properties of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole)?
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole) has a molecular weight of 1535.88 g/mol, XLogP of 20.32, 9 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate;tris(5-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole);bis(5-methyl-3-naphthalen-1-yl-1H-pyrazole);bis(3-(5-methyl-1H-pyrazol-3-yl)-1H-indole) is sourced from PubChem (CID 159664118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).