1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole

C39H66N12 — CID 158623555

IUPAC1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole
SMILESCCCn1cc(CC)cn1.CCc1ccn(C)n1.CCc1ccn(CC)n1.CCc1ccnn1C.CCc1cn(C)nc1C.CCc1cnc[nH]1
InChIInChI=1S/C8H14N2.2C7H12N2.2C6H10N2.C5H8N2/c1-3-5-10-7-8(4-2)6-9-10;1-4-7-5-9(3)8-6(7)2;1-3-7-5-6-9(4-2)8-7;1-3-6-4-5-8(2)7-6;1-3-6-4-5-7-8(6)2;1-2-5-3-6-4-7-5/h6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;2*4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,6,7)
InChIKeyHYHLNGKZCHXZMJ-UHFFFAOYSA-N
MW703.04 g/mol
LogP7.55
Rot. Bonds9

About 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole

1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole (PubChem CID 158623555) has the molecular formula C39H66N12 and a molecular weight of 703.04 g/mol. Its IUPAC name is 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole.

Molecular Properties

Compound Name1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole
PubChem CID158623555
Molecular FormulaC39H66N12
Molecular Weight703.04 g/mol
Exact Mass702.55
IUPAC Name1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole
SMILESCCCn1cc(CC)cn1.CCc1ccn(C)n1.CCc1ccn(CC)n1.CCc1ccnn1C.CCc1cn(C)nc1C.CCc1cnc[nH]1
InChIInChI=1S/C8H14N2.2C7H12N2.2C6H10N2.C5H8N2/c1-3-5-10-7-8(4-2)6-9-10;1-4-7-5-9(3)8-6(7)2;1-3-7-5-6-9(4-2)8-7;1-3-6-4-5-8(2)7-6;1-3-6-4-5-7-8(6)2;1-2-5-3-6-4-7-5/h6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;2*4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,6,7)
InChIKeyHYHLNGKZCHXZMJ-UHFFFAOYSA-N
XLogP7.55
TPSA117.78 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.04
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole with MolForge

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Related Compounds

1,4-dimethylpyrazole;1,5-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2-ethyl-1-methylimidazole;4-methyl-1H-pyrazole;1-methylpyrrole;4-methyl-5-(trifluoromethyl)-1H-pyrazole;3,4,5-trimethyl-1H-pyrazole
CID 160303902
3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-1-ethyl-5-methylpyrazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyltriazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 162107385
2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165008652
2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165099595
1-(2,2-difluoroethyl)-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-5-propan-2-ylpyrazole;1-(1,3-difluoropropan-2-yl)-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)imidazole;bis(1,5-di(propan-2-yl)pyrazole);1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1,5-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-4-propan-2-yl-1-propylpyrazole;tris(1-methyl-5-propan-2-ylpyrazole);3-propan-2-yl-1-propylpyrazole;tris(4-propan-2-yl-1-propylpyrazole);5-propan-2-yl-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole
CID 168399562
4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole
CID 68570203
2-[5-(1H-imidazol-5-yl)-2,5-dimethylhexan-2-yl]-5-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazole
CID 132171379
5,10,15-Tris(1-methylpyrazol-4-yl)-20-(1,4,5-trimethylimidazol-2-yl)-21,23-dihydroporphyrin
CID 136992726
5,10,15-Tris(1-methylpyrazol-4-yl)-20-(1,4,5-trimethylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 137098319
3-[3-(3,5-dimethylpyrazol-1-yl)butyl]-4,5-dimethyl-1-[1-(5-propan-2-yl-1H-imidazol-2-yl)propan-2-yl]pyrazole
CID 137438701
2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole
CID 139573863
2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole
CID 141102979

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole?
The IUPAC name of 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole (CID 158623555) is 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole.
What is the SMILES notation for 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole?
The canonical SMILES for 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole is CCCn1cc(CC)cn1.CCc1ccn(C)n1.CCc1ccn(CC)n1.CCc1ccnn1C.CCc1cn(C)nc1C.CCc1cnc[nH]1.
What is the InChIKey of 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole?
The InChIKey is HYHLNGKZCHXZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H12N2.2C6H10N2.C5H8N2/c1-3-5-10-7-8(4-2)6-9-10;1-4-7-5-9(3)8-6(7)2;1-3-7-5-6-9(4-2)8-7;1-3-6-4-5-8(2)7-6;1-3-6-4-5-7-8(6)2;1-2-5-3-6-4-7-5/h6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;2*4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,6,7).
What are the key properties of 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole?
1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole has a molecular weight of 703.04 g/mol, XLogP of 7.55, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrazole;4-ethyl-1,3-dimethylpyrazole;5-ethyl-1H-imidazole;3-ethyl-1-methylpyrazole;5-ethyl-1-methylpyrazole;4-ethyl-1-propylpyrazole is sourced from PubChem (CID 158623555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).