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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole

C95H100Cl2F14N14 — CID 159290463

IUPAC4-(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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(F)c(F)c(-c2cnn(C)c2)c1.CC(C)c1ccc(-c2cn(C)nc2C#N)cc1F.CC(C)c1ccc(-c2cn(C)nc2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cnn(C)c2)c(Cl)c1.CC(C)c1ccc(-c2cnn(C)c2)cc1Cl.CC(C)c1ccc(-c2cnn(C)c2C(F)(F)F)cc1.CC(C)c1ccc(C2=CCN=C2C(F)(F)F)cc1F
InChIInChI=1S/C14H14F4N2.C14H13F4N.C14H15F3N2.C14H14FN3.2C13H15ClN2.C13H14F2N2/c1-8(2)10-5-4-9(6-12(10)15)11-7-20(3)19-13(11)14(16,17)18;1-8(2)10-4-3-9(7-12(10)15)11-5-6-19-13(11)14(16,17)18;1-9(2)10-4-6-11(7-5-10)12-8-18-19(3)13(12)14(15,16)17;1-9(2)11-5-4-10(6-13(11)15)12-8-18(3)17-14(12)7-16;1-9(2)12-5-4-10(6-13(12)14)11-7-15-16(3)8-11;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-8(2)9-4-11(13(15)12(14)5-9)10-6-16-17(3)7-10/h4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;4-9H,1-3H3;4-6,8-9H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3
InChIKeyLAAYCKDOYRRTHV-UHFFFAOYSA-N
MW1774.82 g/mol
LogP27.38
Rot. Bonds14

About 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole

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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 159290463) has the molecular formula C95H100Cl2F14N14 and a molecular weight of 1774.82 g/mol. Its IUPAC name is 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID159290463
Molecular FormulaC95H100Cl2F14N14
Molecular Weight1774.82 g/mol
Exact Mass1772.74
IUPAC Name4-(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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(F)c(F)c(-c2cnn(C)c2)c1.CC(C)c1ccc(-c2cn(C)nc2C#N)cc1F.CC(C)c1ccc(-c2cn(C)nc2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cnn(C)c2)c(Cl)c1.CC(C)c1ccc(-c2cnn(C)c2)cc1Cl.CC(C)c1ccc(-c2cnn(C)c2C(F)(F)F)cc1.CC(C)c1ccc(C2=CCN=C2C(F)(F)F)cc1F
InChIInChI=1S/C14H14F4N2.C14H13F4N.C14H15F3N2.C14H14FN3.2C13H15ClN2.C13H14F2N2/c1-8(2)10-5-4-9(6-12(10)15)11-7-20(3)19-13(11)14(16,17)18;1-8(2)10-4-3-9(7-12(10)15)11-5-6-19-13(11)14(16,17)18;1-9(2)10-4-6-11(7-5-10)12-8-18-19(3)13(12)14(15,16)17;1-9(2)11-5-4-10(6-13(11)15)12-8-18(3)17-14(12)7-16;1-9(2)12-5-4-10(6-13(12)14)11-7-15-16(3)8-11;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-8(2)9-4-11(13(15)12(14)5-9)10-6-16-17(3)7-10/h4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;4-9H,1-3H3;4-6,8-9H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3
InChIKeyLAAYCKDOYRRTHV-UHFFFAOYSA-N
XLogP27.38
TPSA143.07 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001774.82
LogP ≤ 527.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole with MolForge

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Related Compounds

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
4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-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)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 157282143
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
N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159575750
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
2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 159712019
5-[4-[2-(2,6-Difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole
CID 160770456

Frequently Asked Questions

What is the IUPAC name of 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole (CID 159290463) is 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole is CC(C)c1cc(F)c(F)c(-c2cnn(C)c2)c1.CC(C)c1ccc(-c2cn(C)nc2C#N)cc1F.CC(C)c1ccc(-c2cn(C)nc2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cnn(C)c2)c(Cl)c1.CC(C)c1ccc(-c2cnn(C)c2)cc1Cl.CC(C)c1ccc(-c2cnn(C)c2C(F)(F)F)cc1.CC(C)c1ccc(C2=CCN=C2C(F)(F)F)cc1F.
What is the InChIKey of 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is LAAYCKDOYRRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2.C14H13F4N.C14H15F3N2.C14H14FN3.2C13H15ClN2.C13H14F2N2/c1-8(2)10-5-4-9(6-12(10)15)11-7-20(3)19-13(11)14(16,17)18;1-8(2)10-4-3-9(7-12(10)15)11-5-6-19-13(11)14(16,17)18;1-9(2)10-4-6-11(7-5-10)12-8-18-19(3)13(12)14(15,16)17;1-9(2)11-5-4-10(6-13(11)15)12-8-18(3)17-14(12)7-16;1-9(2)12-5-4-10(6-13(12)14)11-7-15-16(3)8-11;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-8(2)9-4-11(13(15)12(14)5-9)10-6-16-17(3)7-10/h4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;4-9H,1-3H3;4-6,8-9H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3.
What are the key properties of 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?
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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 1774.82 g/mol, XLogP of 27.38, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159290463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).