4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C83H112Cl2F6N10O — CID 157224658

IUPAC4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1c(Cl)cnn1C(C)C.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1cnc2c(cnn2C(C)C)c1.CC(C)c1nn(C)c2ccccc12.COc1ccc(Cl)c(C(C)C)c1.Cc1ccc(F)cc1C(C)C
InChIInChI=1S/C12H17N3.C12H15N.C11H14F2.C11H14N2.C10H13ClO.C10H13F.C9H15ClN2.C8H11F3N2/c1-8(2)10-5-11-7-14-15(9(3)4)12(11)13-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)9-8(10)5-11-12(9)7(3)4;1-6(2)7-3-4-12-13(7)5-8(9,10)11/h5-9H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;3-4,6H,5H2,1-2H3
InChIKeyATKCLTCXKXKPMN-UHFFFAOYSA-N
MW1450.77 g/mol
LogP25.59
Rot. Bonds13

About 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 157224658) has the molecular formula C83H112Cl2F6N10O and a molecular weight of 1450.77 g/mol. Its IUPAC name is 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID157224658
Molecular FormulaC83H112Cl2F6N10O
Molecular Weight1450.77 g/mol
Exact Mass1448.83
IUPAC Name4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1c(Cl)cnn1C(C)C.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1cnc2c(cnn2C(C)C)c1.CC(C)c1nn(C)c2ccccc12.COc1ccc(Cl)c(C(C)C)c1.Cc1ccc(F)cc1C(C)C
InChIInChI=1S/C12H17N3.C12H15N.C11H14F2.C11H14N2.C10H13ClO.C10H13F.C9H15ClN2.C8H11F3N2/c1-8(2)10-5-11-7-14-15(9(3)4)12(11)13-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)9-8(10)5-11-12(9)7(3)4;1-6(2)7-3-4-12-13(7)5-8(9,10)11/h5-9H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;3-4,6H,5H2,1-2H3
InChIKeyATKCLTCXKXKPMN-UHFFFAOYSA-N
XLogP25.59
TPSA98.33 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001450.77
LogP ≤ 525.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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Related Compounds

6-chloro-N-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-2-[(5-methylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118481971
6-chloro-N-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-2-[(3-methylquinolin-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482338
4-Chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-fluoro-2-propan-2-ylbenzene;1-chloro-4-methoxy-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157255145
4-Chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-fluoro-2-propan-2-ylbenzene;1-chloro-4-methoxy-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 157661082
Bis(2-tert-butyl-7-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;bis(2-tert-butyl-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 157681198
7-[2-(2-Chloro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(4,5-difluoro-2-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158721095
6-[4-(4-Chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 158942437
1-benzyl-2-tert-butyl-4-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-tert-butyl-6-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-(2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine;1-benzyl-2-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1R)-1-phenylethyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(1-phenylethyl)pyrrolo[2,3-b]pyridine
CID 159601427
6-[2-(3-Chloro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3,4-dimethylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159701589
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 159808476
5-chloro-7-[1-(3,5-difluoro-4-methylphenyl)butyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;7-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 160194623
2-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2,3-dimethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 160230864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 157224658) is 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)c1c(Cl)cnn1C(C)C.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1cnc2c(cnn2C(C)C)c1.CC(C)c1nn(C)c2ccccc12.COc1ccc(Cl)c(C(C)C)c1.Cc1ccc(F)cc1C(C)C.
What is the InChIKey of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is ATKCLTCXKXKPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C12H15N.C11H14F2.C11H14N2.C10H13ClO.C10H13F.C9H15ClN2.C8H11F3N2/c1-8(2)10-5-11-7-14-15(9(3)4)12(11)13-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)9-8(10)5-11-12(9)7(3)4;1-6(2)7-3-4-12-13(7)5-8(9,10)11/h5-9H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;3-4,6H,5H2,1-2H3.
What are the key properties of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 1450.77 g/mol, XLogP of 25.59, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,5-di(propan-2-yl)pyrazolo[3,4-b]pyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 157224658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).