1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole

C69H136N20 — CID 157423127

IUPAC1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NN=CC1.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1
InChIInChI=1S/C5H8N2.3C5H7N.6C4H6N2.C3H5N3.11C2H6/c1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-6-2-4-5-3-6;11*1-2/h3-4H,1-2H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);3H,2H2,1H3;2-3H,1H3;11*1-2H3
InChIKeyBPQLFSALXDMVLF-UHFFFAOYSA-N
MW1245.99 g/mol
LogP19.33
Rot. Bonds

About 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole

1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole (PubChem CID 157423127) has the molecular formula C69H136N20 and a molecular weight of 1245.99 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole
PubChem CID157423127
Molecular FormulaC69H136N20
Molecular Weight1245.99 g/mol
Exact Mass1245.13
IUPAC Name1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NN=CC1.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1
InChIInChI=1S/C5H8N2.3C5H7N.6C4H6N2.C3H5N3.11C2H6/c1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-6-2-4-5-3-6;11*1-2/h3-4H,1-2H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);3H,2H2,1H3;2-3H,1H3;11*1-2H3
InChIKeyBPQLFSALXDMVLF-UHFFFAOYSA-N
XLogP19.33
TPSA231.44 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.99
LogP ≤ 519.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

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US11491140, Example 195
CID 155305237
4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-2-(1H-pyrrol-3-yl)-10,10a-dihydropyrimido[1,2-a]benzimidazole
CID 162653728
4-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-2-(1H-pyrrol-3-yl)-10,10a-dihydropyrimido[1,2-a]benzimidazole
CID 162669556
N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
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5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
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Tetra-imidazolyl porphyrin
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CID 56751576
2-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-1H-benzimidazole
CID 56861045
5'-methyl-1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H,3'H-2,4'-biimidazole
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole?
The IUPAC name of 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole (CID 157423127) is 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole.
What is the SMILES notation for 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole?
The canonical SMILES for 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NN=CC1.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1.
What is the InChIKey of 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole?
The InChIKey is BPQLFSALXDMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.3C5H7N.6C4H6N2.C3H5N3.11C2H6/c1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-6-2-4-5-3-6;11*1-2/h3-4H,1-2H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);3H,2H2,1H3;2-3H,1H3;11*1-2H3.
What are the key properties of 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole?
1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole has a molecular weight of 1245.99 g/mol, XLogP of 19.33, 0 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);1-methylpyrazole;3-methyl-4H-pyrazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-1,2,4-triazole is sourced from PubChem (CID 157423127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).