bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine

C88H136N22O2S — CID 160669290

IUPACbis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
SMILESCC(C)C.CC(C)C.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(=O)[nH][nH]1.CC(C)c1cc2ncccn2n1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cscn1.CC(C)c1n[nH]c2c1CCCC2.c1ccncc1.c1cnccn1
InChIInChI=1S/C10H16N2.C10H12N2.C9H11N3.C7H11N.C6H10N2O.2C6H10N2.C6H9NO.C6H9NS.C5H9N3.C5H5N.C4H4N2.2C4H10/c2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)7-4-3-5-8-7;1-4(2)5-3-6(9)8-7-5;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-4(2)3/h7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6,8H,1-2H3;3-4H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;1-4H;2*4H,1-3H3
InChIKeyRMSGJVOBVDJYKV-UHFFFAOYSA-N
MW1566.27 g/mol
LogP22.86
Rot. Bonds10

About bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine

bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine (PubChem CID 160669290) has the molecular formula C88H136N22O2S and a molecular weight of 1566.27 g/mol. Its IUPAC name is bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine.

Molecular Properties

Compound Namebis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
PubChem CID160669290
Molecular FormulaC88H136N22O2S
Molecular Weight1566.27 g/mol
Exact Mass1565.09
IUPAC Namebis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
SMILESCC(C)C.CC(C)C.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(=O)[nH][nH]1.CC(C)c1cc2ncccn2n1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cscn1.CC(C)c1n[nH]c2c1CCCC2.c1ccncc1.c1cnccn1
InChIInChI=1S/C10H16N2.C10H12N2.C9H11N3.C7H11N.C6H10N2O.2C6H10N2.C6H9NO.C6H9NS.C5H9N3.C5H5N.C4H4N2.2C4H10/c2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)7-4-3-5-8-7;1-4(2)5-3-6(9)8-7-5;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-4(2)3/h7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6,8H,1-2H3;3-4H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;1-4H;2*4H,1-3H3
InChIKeyRMSGJVOBVDJYKV-UHFFFAOYSA-N
XLogP22.86
TPSA328.51 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001566.27
LogP ≤ 522.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine with MolForge

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Launch Full Analysis

Related Compounds

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CID 118537142
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537225
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[4-(1,2,3-benzothiadiazol-4-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-3-thiophen-2-ylimidazol-2-yl]-1,2-oxazole
CID 141028377
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
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1-benzothiophene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157229700
ethane;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
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ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole
CID 157271812
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
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1,3-benzothiazole;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157483972
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 157491025

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine?
The IUPAC name of bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine (CID 160669290) is bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine.
What is the SMILES notation for bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine?
The canonical SMILES for bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine is CC(C)C.CC(C)C.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(=O)[nH][nH]1.CC(C)c1cc2ncccn2n1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cscn1.CC(C)c1n[nH]c2c1CCCC2.c1ccncc1.c1cnccn1.
What is the InChIKey of bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine?
The InChIKey is RMSGJVOBVDJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C10H12N2.C9H11N3.C7H11N.C6H10N2O.2C6H10N2.C6H9NO.C6H9NS.C5H9N3.C5H5N.C4H4N2.2C4H10/c2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)7-4-3-5-8-7;1-4(2)5-3-6(9)8-7-5;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-4(2)3/h7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6,8H,1-2H3;3-4H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;1-4H;2*4H,1-3H3.
What are the key properties of bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine?
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine has a molecular weight of 1566.27 g/mol, XLogP of 22.86, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine is sourced from PubChem (CID 160669290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).