1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole

C69H105N15OS3 — CID 158058013

IUPAC1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
SMILESC.C.C.CCc1cccn1C.Cc1cc[nH]c1.Cc1ccc(C)n1C.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccn1C.Cc1ccn[nH]1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/2C7H11N.C6H7NO.C6H9N.4C5H7N.2C4H6N2.3C4H5NS.3CH4/c1-6-4-5-7(2)8(6)3;1-3-7-5-4-6-8(7)2;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-5-2-3-6-4-5;2*1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;/h4-5H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-4,6H,1H3;2*2-5H,1H3;2-4,6H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;3*1H4
InChIKeyFKHNVVMYNSSIMU-UHFFFAOYSA-N
MW1256.90 g/mol
LogP17.34
Rot. Bonds1

About 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole

1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole (PubChem CID 158058013) has the molecular formula C69H105N15OS3 and a molecular weight of 1256.90 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Name1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
PubChem CID158058013
Molecular FormulaC69H105N15OS3
Molecular Weight1256.90 g/mol
Exact Mass1255.78
IUPAC Name1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
SMILESC.C.C.CCc1cccn1C.Cc1cc[nH]c1.Cc1ccc(C)n1C.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccn1C.Cc1ccn[nH]1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/2C7H11N.C6H7NO.C6H9N.4C5H7N.2C4H6N2.3C4H5NS.3CH4/c1-6-4-5-7(2)8(6)3;1-3-7-5-4-6-8(7)2;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-5-2-3-6-4-5;2*1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;/h4-5H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-4,6H,1H3;2*2-5H,1H3;2-4,6H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;3*1H4
InChIKeyFKHNVVMYNSSIMU-UHFFFAOYSA-N
XLogP17.34
TPSA174.26 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.90
LogP ≤ 517.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((6-(4-fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 90547485
N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 58094794
N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 59332296
2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
CID 141064117
2-[1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole
CID 141123569
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole
CID 141336754
3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole
CID 141344336
4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole
CID 141368941
methyl N-[2-[2-[3-[2-[4-(1H-imidazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide;propane
CID 144206196
2-(ethylamino)-1-pyrrolidin-1-ylethanone;methyl N-[2-[2-[3-[2-[4-(1H-imidazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;propane
CID 144452450
tert-butylbenzene;3-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal;2,2,3-trimethylbutane
CID 157164125
tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 157303462

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
The IUPAC name of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole (CID 158058013) is 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole.
What is the SMILES notation for 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
The canonical SMILES for 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole is C.C.C.CCc1cccn1C.Cc1cc[nH]c1.Cc1ccc(C)n1C.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccn1C.Cc1ccn[nH]1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1ccnc1.
What is the InChIKey of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
The InChIKey is FKHNVVMYNSSIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.C6H7NO.C6H9N.4C5H7N.2C4H6N2.3C4H5NS.3CH4/c1-6-4-5-7(2)8(6)3;1-3-7-5-4-6-8(7)2;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-5-2-3-6-4-5;2*1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;/h4-5H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-4,6H,1H3;2*2-5H,1H3;2-4,6H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;3*1H4.
What are the key properties of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole has a molecular weight of 1256.90 g/mol, XLogP of 17.34, 1 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158058013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).