1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C83H117Cl2F7N18O2 — CID 158717120

IUPAC1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(=O)N(C)C)nn1-c1ccc(F)c(Cl)c1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(C)C.Cc1cc(-n2nc(C(=O)NC3CCN(C)CC3)cc2C(C)C)ccc1Cl.Cc1cc(C(C)C)n(-c2ccncc2)n1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1cc(C(C)C)n(C)n1
InChIInChI=1S/C20H27ClN4O.C15H17ClFN3O.C12H15N3.C10H15F3N2.C10H18N2.C8H11F3N2.C8H14N2/c1-13(2)19-12-18(20(26)22-15-7-9-24(4)10-8-15)23-25(19)16-5-6-17(21)14(3)11-16;1-9(2)14-8-13(15(21)19(3)4)18-20(14)10-5-6-12(17)11(16)7-10;1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11;1-6(2)8-5-9(10(11,12)13)14-15(8)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-7(3)9-10(8)4/h5-6,11-13,15H,7-10H2,1-4H3,(H,22,26);5-9H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;4-5H,1-3H3;5-6H,1-4H3
InChIKeyIJLGTZLMMPBMMR-UHFFFAOYSA-N
MW1602.86 g/mol
LogP20.89
Rot. Bonds15

About 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole

1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 158717120) has the molecular formula C83H117Cl2F7N18O2 and a molecular weight of 1602.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID158717120
Molecular FormulaC83H117Cl2F7N18O2
Molecular Weight1602.86 g/mol
Exact Mass1600.89
IUPAC Name1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(=O)N(C)C)nn1-c1ccc(F)c(Cl)c1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(C)C.Cc1cc(-n2nc(C(=O)NC3CCN(C)CC3)cc2C(C)C)ccc1Cl.Cc1cc(C(C)C)n(-c2ccncc2)n1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1cc(C(C)C)n(C)n1
InChIInChI=1S/C20H27ClN4O.C15H17ClFN3O.C12H15N3.C10H15F3N2.C10H18N2.C8H11F3N2.C8H14N2/c1-13(2)19-12-18(20(26)22-15-7-9-24(4)10-8-15)23-25(19)16-5-6-17(21)14(3)11-16;1-9(2)14-8-13(15(21)19(3)4)18-20(14)10-5-6-12(17)11(16)7-10;1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11;1-6(2)8-5-9(10(11,12)13)14-15(8)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-7(3)9-10(8)4/h5-6,11-13,15H,7-10H2,1-4H3,(H,22,26);5-9H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;4-5H,1-3H3;5-6H,1-4H3
InChIKeyIJLGTZLMMPBMMR-UHFFFAOYSA-N
XLogP20.89
TPSA190.28 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001602.86
LogP ≤ 520.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole with MolForge

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Related Compounds

8-[1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 124172048
N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide
CID 143654451
3-[4-[1-[2-[4-[[4-chloro-3-[[ethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]phenyl]ethyl]-5-methylpyrazol-4-yl]triazol-1-yl]-N-[4-chloro-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 145542299
1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one
CID 153224744
N-(4-chloro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 157429923
4-chloro-3-(1,1-difluoroethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-5-carboxamide;4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide
CID 159306088
1-(3-Chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one
CID 159355575
1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chlorophenyl)-N-methyl-5-propan-2-ylpyrazole-3-carboxamide;[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 159584256
1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chlorophenyl)-N-methyl-5-propan-2-ylpyrazole-3-carboxamide;[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 159723244
1-tert-butyl-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-tri(propan-2-yl)pyrazole
CID 159767299
1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chlorophenyl)-N-methyl-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 160929104
1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 161346798

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 158717120) is 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(=O)N(C)C)nn1-c1ccc(F)c(Cl)c1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(C)C.Cc1cc(-n2nc(C(=O)NC3CCN(C)CC3)cc2C(C)C)ccc1Cl.Cc1cc(C(C)C)n(-c2ccncc2)n1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is IJLGTZLMMPBMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O.C15H17ClFN3O.C12H15N3.C10H15F3N2.C10H18N2.C8H11F3N2.C8H14N2/c1-13(2)19-12-18(20(26)22-15-7-9-24(4)10-8-15)23-25(19)16-5-6-17(21)14(3)11-16;1-9(2)14-8-13(15(21)19(3)4)18-20(14)10-5-6-12(17)11(16)7-10;1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11;1-6(2)8-5-9(10(11,12)13)14-15(8)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-7(3)9-10(8)4/h5-6,11-13,15H,7-10H2,1-4H3,(H,22,26);5-9H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;4-5H,1-3H3;5-6H,1-4H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 1602.86 g/mol, XLogP of 20.89, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 158717120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).