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

C64H93F7N14O — CID 161346798

IUPAC1,3-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
SMILESCC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(C)C.Cc1cc(-n2nc(C(=O)N(C)C)cc2C(C)C)ccc1F.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/C16H20FN3O.C12H15N3.C10H15F3N2.C10H18N2.C8H11F3N2.C8H14N2/c1-10(2)15-9-14(16(21)19(4)5)18-20(15)12-6-7-13(17)11(3)8-12;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/h6-10H,1-5H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;4-5H,1-3H3;5-6H,1-4H3
InChIKeyVNKGLFPOSTYWFK-UHFFFAOYSA-N
MW1207.53 g/mol
LogP16.76
Rot. Bonds11

About 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

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 (PubChem CID 161346798) has the molecular formula C64H93F7N14O and a molecular weight of 1207.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID161346798
Molecular FormulaC64H93F7N14O
Molecular Weight1207.53 g/mol
Exact Mass1206.75
IUPAC Name1,3-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
SMILESCC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(C)C.Cc1cc(-n2nc(C(=O)N(C)C)cc2C(C)C)ccc1F.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/C16H20FN3O.C12H15N3.C10H15F3N2.C10H18N2.C8H11F3N2.C8H14N2/c1-10(2)15-9-14(16(21)19(4)5)18-20(15)12-6-7-13(17)11(3)8-12;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/h6-10H,1-5H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;4-5H,1-3H3;5-6H,1-4H3
InChIKeyVNKGLFPOSTYWFK-UHFFFAOYSA-N
XLogP16.76
TPSA140.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.53
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
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[1-(3-Methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
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3-[1-(4-Fluorophenyl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-YL]pyridine
CID 53033740
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[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone
CID 146491764
[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone
CID 156863637
1-[2-(1-Benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one
CID 158379589
6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 158633225
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(C)C.Cc1cc(-n2nc(C(=O)N(C)C)cc2C(C)C)ccc1F.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-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?
The InChIKey is VNKGLFPOSTYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O.C12H15N3.C10H15F3N2.C10H18N2.C8H11F3N2.C8H14N2/c1-10(2)15-9-14(16(21)19(4)5)18-20(15)12-6-7-13(17)11(3)8-12;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/h6-10H,1-5H3;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-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?
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 has a molecular weight of 1207.53 g/mol, XLogP of 16.76, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161346798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).