3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole

C75H100N10 — CID 157081736

IUPAC3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole
SMILESCC(C)C(C)c1ccc(Cn2cccn2)cc1.CC(C)Cc1ccc(Cn2cccn2)cc1.Cc1cc(C)n(Cc2ccc(CC(C)C)cc2)n1.Cc1ccn(Cc2ccc(CC(C)C)cc2)n1.Cc1cnn(Cc2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C16H22N2.3C15H20N2.C14H18N2/c1-12(2)9-15-5-7-16(8-6-15)11-18-14(4)10-13(3)17-18;1-12(2)13(3)15-7-5-14(6-8-15)11-17-10-4-9-16-17;1-12(2)8-14-4-6-15(7-5-14)11-17-10-13(3)9-16-17;1-12(2)10-14-4-6-15(7-5-14)11-17-9-8-13(3)16-17;1-12(2)10-13-4-6-14(7-5-13)11-16-9-3-8-15-16/h5-8,10,12H,9,11H2,1-4H3;4-10,12-13H,11H2,1-3H3;4-7,9-10,12H,8,11H2,1-3H3;4-9,12H,10-11H2,1-3H3;3-9,12H,10-11H2,1-2H3
InChIKeyADPXLMYEXIAQEB-UHFFFAOYSA-N
MW1141.69 g/mol
LogP17.44
Rot. Bonds20

About 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole

3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole (PubChem CID 157081736) has the molecular formula C75H100N10 and a molecular weight of 1141.69 g/mol. Its IUPAC name is 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole
PubChem CID157081736
Molecular FormulaC75H100N10
Molecular Weight1141.69 g/mol
Exact Mass1140.81
IUPAC Name3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole
SMILESCC(C)C(C)c1ccc(Cn2cccn2)cc1.CC(C)Cc1ccc(Cn2cccn2)cc1.Cc1cc(C)n(Cc2ccc(CC(C)C)cc2)n1.Cc1ccn(Cc2ccc(CC(C)C)cc2)n1.Cc1cnn(Cc2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C16H22N2.3C15H20N2.C14H18N2/c1-12(2)9-15-5-7-16(8-6-15)11-18-14(4)10-13(3)17-18;1-12(2)13(3)15-7-5-14(6-8-15)11-17-10-4-9-16-17;1-12(2)8-14-4-6-15(7-5-14)11-17-10-13(3)9-16-17;1-12(2)10-14-4-6-15(7-5-14)11-17-9-8-13(3)16-17;1-12(2)10-13-4-6-14(7-5-13)11-16-9-3-8-15-16/h5-8,10,12H,9,11H2,1-4H3;4-10,12-13H,11H2,1-3H3;4-7,9-10,12H,8,11H2,1-3H3;4-9,12H,10-11H2,1-3H3;3-9,12H,10-11H2,1-2H3
InChIKeyADPXLMYEXIAQEB-UHFFFAOYSA-N
XLogP17.44
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.69
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole with MolForge

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Related Compounds

1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]propyl]-4-phenethyl-triazole
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1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
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Hexa(pyrazol-1-ylmethyl)benzene
CID 15190545
5,10,15,20-Tetrakis[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]-21,23-dihydroporphyrin
CID 142756942
4-(2-Chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 157185778
3-(3-tert-butyl-2-methylphenyl)-1-(2,2-difluoropropyl)pyrazole;3-(3-tert-butyl-2-methylphenyl)-1-(2,2-dimethylpropyl)pyrazole;5-(3-tert-butyl-2-methylphenyl)-1-methyl-4H-pyrazol-1-ium;3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole
CID 157218474
3-(3-tert-butyl-2-methylphenyl)-1-(2,2-difluoropropyl)pyrazole;3-(3-tert-butyl-2-methylphenyl)-1-(2,2-dimethylpropyl)pyrazole;5-(3-tert-butyl-2-methylphenyl)-1-methyl-4H-pyrazol-1-ium;3-[3-(3-tert-butyl-2-methylphenyl)pyrazol-1-yl]propanenitrile;methane
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1-(2-Fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole;tetrakis(iridium);1-(4-methylbenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole;1-(3-phenylbenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole;4-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
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1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane
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3-Cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;1-(difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 160366227
1,2-ditert-butylbenzene;tris(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;bis(1,2-ditert-butyl-4-(trifluoromethyl)benzene);2,2,3,4-tetramethylpentane;2,2,4,4-tetramethylpentane
CID 160792015
3-Cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;2-fluoro-6-(1-methylpyrazol-4-yl)-3-propan-2-ylbenzonitrile;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-ylbenzonitrile;2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 161900879

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole (CID 157081736) is 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole is CC(C)C(C)c1ccc(Cn2cccn2)cc1.CC(C)Cc1ccc(Cn2cccn2)cc1.Cc1cc(C)n(Cc2ccc(CC(C)C)cc2)n1.Cc1ccn(Cc2ccc(CC(C)C)cc2)n1.Cc1cnn(Cc2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole?
The InChIKey is ADPXLMYEXIAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.3C15H20N2.C14H18N2/c1-12(2)9-15-5-7-16(8-6-15)11-18-14(4)10-13(3)17-18;1-12(2)13(3)15-7-5-14(6-8-15)11-17-10-4-9-16-17;1-12(2)8-14-4-6-15(7-5-14)11-17-10-13(3)9-16-17;1-12(2)10-14-4-6-15(7-5-14)11-17-9-8-13(3)16-17;1-12(2)10-13-4-6-14(7-5-13)11-16-9-3-8-15-16/h5-8,10,12H,9,11H2,1-4H3;4-10,12-13H,11H2,1-3H3;4-7,9-10,12H,8,11H2,1-3H3;4-9,12H,10-11H2,1-3H3;3-9,12H,10-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole?
3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole has a molecular weight of 1141.69 g/mol, XLogP of 17.44, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(3-methylbutan-2-yl)phenyl]methyl]pyrazole;3-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;4-methyl-1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole;1-[[4-(2-methylpropyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 157081736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).