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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene

C127H141F14N16+ — CID 158492183

IUPAC3-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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C#N)c(-c2cnn(C)c2)cc1F.CC(C)c1cc(C(F)F)c(-c2cnn(C)c2)cc1F.CC(C)c1cc(F)c(-c2c[n+](C)[nH]c2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cccc(C#N)c2)cc1.CC(C)c1ccc(-c2cn(C)nc2C2CC2)cc1.CC(C)c1ccc(-c2cnn(C)c2)c(C(F)F)c1.CC(C)c1ccc(-c2cnn(C3CC3)c2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CCn1cc(-c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H20N2.C16H15N.C15H18N2.C14H13F5N2.C14H15F3N2.C14H16F2N2.C14H14FN3.C14H18N2.C10H11F3/c1-11(2)12-4-6-13(7-5-12)15-10-18(3)17-16(15)14-8-9-14;1-12(2)14-6-8-15(9-7-14)16-5-3-4-13(10-16)11-17;1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)15-7-8-15;1-7(2)8-4-12(16)9(5-11(8)15)10-6-21(3)20-13(10)14(17,18)19;1-8(2)10-4-12(14(16)17)11(5-13(10)15)9-6-18-19(3)7-9;1-9(2)10-4-5-12(13(6-10)14(15)16)11-7-17-18(3)8-11;1-9(2)12-4-10(6-16)13(5-14(12)15)11-7-17-18(3)8-11;1-4-16-10-14(9-15-16)13-7-5-12(6-8-13)11(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13/h4-7,10-11,14H,8-9H2,1-3H3;3-10,12H,1-2H3;3-6,9-11,15H,7-8H2,1-2H3;4-7H,1-3H3;4-8,14H,1-3H3;4-9,14H,1-3H3;4-5,7-9H,1-3H3;5-11H,4H2,1-3H3;3-7H,1-2H3/p+1
InChIKeyMYTNFFPQGFLRPB-UHFFFAOYSA-O
MW2157.61 g/mol
LogP35.55
Rot. Bonds22

About 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene

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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 158492183) has the molecular formula C127H141F14N16+ and a molecular weight of 2157.61 g/mol. Its IUPAC name is 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID158492183
Molecular FormulaC127H141F14N16+
Molecular Weight2157.61 g/mol
Exact Mass2156.13
IUPAC Name3-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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C#N)c(-c2cnn(C)c2)cc1F.CC(C)c1cc(C(F)F)c(-c2cnn(C)c2)cc1F.CC(C)c1cc(F)c(-c2c[n+](C)[nH]c2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cccc(C#N)c2)cc1.CC(C)c1ccc(-c2cn(C)nc2C2CC2)cc1.CC(C)c1ccc(-c2cnn(C)c2)c(C(F)F)c1.CC(C)c1ccc(-c2cnn(C3CC3)c2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CCn1cc(-c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H20N2.C16H15N.C15H18N2.C14H13F5N2.C14H15F3N2.C14H16F2N2.C14H14FN3.C14H18N2.C10H11F3/c1-11(2)12-4-6-13(7-5-12)15-10-18(3)17-16(15)14-8-9-14;1-12(2)14-6-8-15(9-7-14)16-5-3-4-13(10-16)11-17;1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)15-7-8-15;1-7(2)8-4-12(16)9(5-11(8)15)10-6-21(3)20-13(10)14(17,18)19;1-8(2)10-4-12(14(16)17)11(5-13(10)15)9-6-18-19(3)7-9;1-9(2)10-4-5-12(13(6-10)14(15)16)11-7-17-18(3)8-11;1-9(2)12-4-10(6-16)13(5-14(12)15)11-7-17-18(3)8-11;1-4-16-10-14(9-15-16)13-7-5-12(6-8-13)11(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13/h4-7,10-11,14H,8-9H2,1-3H3;3-10,12H,1-2H3;3-6,9-11,15H,7-8H2,1-2H3;4-7H,1-3H3;4-8,14H,1-3H3;4-9,14H,1-3H3;4-5,7-9H,1-3H3;5-11H,4H2,1-3H3;3-7H,1-2H3/p+1
InChIKeyMYTNFFPQGFLRPB-UHFFFAOYSA-O
XLogP35.55
TPSA174.17 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.61
LogP ≤ 535.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 158705985
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
CID 159032686
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
5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;6-fluoro-1-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole
CID 160579483
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
4-[1,5-Dimethyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrazol-2-ium-2-yl]-3-methylbenzonitrile;4-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-3-methylbenzonitrile;4-[4-(2,6-dimethyl-4-phenylphenyl)-2-methylpyrazol-2-ium-1-yl]-3-methylbenzonitrile;4-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyrazol-2-ium-2-yl]-3-methylbenzonitrile;3-methyl-4-(2-methyl-4-phenylpyrazol-2-ium-1-yl)benzonitrile
CID 157269386
N-[[1-(cyclohexylmethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 157689871
2-(2,4-Difluoro-6-methylphenyl)-4-(2,6-dimethylphenyl)-1,5-dimethylpyrazol-2-ium;2-(2,4-difluoro-6-methylphenyl)-4-(2,6-dimethyl-4-phenylphenyl)-1,5-dimethylpyrazol-2-ium;2-(2,4-difluoro-6-methylphenyl)-1,5-dimethyl-4-phenylpyrazol-2-ium;2-(2,4-difluoro-6-methylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyrazol-2-ium
CID 157983694
5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)-N-propan-2-ylaniline;4-fluoro-2-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)benzonitrile;2-fluoro-4-(1-methylpyrazol-4-yl)-N-propan-2-ylaniline;3-(1-methylpyrazol-4-yl)-N-propan-2-ylaniline;4-(1-methylpyrazol-4-yl)-N-propan-2-ylaniline;5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole-6-carbonitrile
CID 158071916
4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2,6-difluoro-3-methylphenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2,6-difluoro-4-methylphenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluoro-6-methylphenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 158474060
4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158617305

Frequently Asked Questions

What is the IUPAC name of 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 158492183) is 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1cc(C#N)c(-c2cnn(C)c2)cc1F.CC(C)c1cc(C(F)F)c(-c2cnn(C)c2)cc1F.CC(C)c1cc(F)c(-c2c[n+](C)[nH]c2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cccc(C#N)c2)cc1.CC(C)c1ccc(-c2cn(C)nc2C2CC2)cc1.CC(C)c1ccc(-c2cnn(C)c2)c(C(F)F)c1.CC(C)c1ccc(-c2cnn(C3CC3)c2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CCn1cc(-c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is MYTNFFPQGFLRPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2.C16H15N.C15H18N2.C14H13F5N2.C14H15F3N2.C14H16F2N2.C14H14FN3.C14H18N2.C10H11F3/c1-11(2)12-4-6-13(7-5-12)15-10-18(3)17-16(15)14-8-9-14;1-12(2)14-6-8-15(9-7-14)16-5-3-4-13(10-16)11-17;1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)15-7-8-15;1-7(2)8-4-12(16)9(5-11(8)15)10-6-21(3)20-13(10)14(17,18)19;1-8(2)10-4-12(14(16)17)11(5-13(10)15)9-6-18-19(3)7-9;1-9(2)10-4-5-12(13(6-10)14(15)16)11-7-17-18(3)8-11;1-9(2)12-4-10(6-16)13(5-14(12)15)11-7-17-18(3)8-11;1-4-16-10-14(9-15-16)13-7-5-12(6-8-13)11(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13/h4-7,10-11,14H,8-9H2,1-3H3;3-10,12H,1-2H3;3-6,9-11,15H,7-8H2,1-2H3;4-7H,1-3H3;4-8,14H,1-3H3;4-9,14H,1-3H3;4-5,7-9H,1-3H3;5-11H,4H2,1-3H3;3-7H,1-2H3/p+1.
What are the key properties of 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene?
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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 2157.61 g/mol, XLogP of 35.55, 22 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158492183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).