4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole

C83H123BrClF16N19 — CID 158819977

IUPAC4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1ccc(C(C)(F)F)n1.CC(C)n1cccc1.CC(C)n1ccnc1.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.CC(F)c1nn(C(C)C)c(C(F)F)c1Cl
InChIInChI=1S/C12H17F3N2.C11H16F2N2.C9H12BrF3N2.C9H12ClF3N2.C9H13F3N2.C8H12F2N2.C7H11N.3C6H10N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;2*1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10;1-6(2)12-5-4-7(11-12)8(3,9)10;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;2*4-5,9H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyIVSYVGYLFDTYIS-UHFFFAOYSA-N
MW1806.35 g/mol
LogP28.65
Rot. Bonds22

About 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole (PubChem CID 158819977) has the molecular formula C83H123BrClF16N19 and a molecular weight of 1806.35 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole
PubChem CID158819977
Molecular FormulaC83H123BrClF16N19
Molecular Weight1806.35 g/mol
Exact Mass1803.88
IUPAC Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1ccc(C(C)(F)F)n1.CC(C)n1cccc1.CC(C)n1ccnc1.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.CC(F)c1nn(C(C)C)c(C(F)F)c1Cl
InChIInChI=1S/C12H17F3N2.C11H16F2N2.C9H12BrF3N2.C9H12ClF3N2.C9H13F3N2.C8H12F2N2.C7H11N.3C6H10N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;2*1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10;1-6(2)12-5-4-7(11-12)8(3,9)10;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;2*4-5,9H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyIVSYVGYLFDTYIS-UHFFFAOYSA-N
XLogP28.65
TPSA187.03 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.35
LogP ≤ 528.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole (CID 158819977) is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole is CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1ccc(C(C)(F)F)n1.CC(C)n1cccc1.CC(C)n1ccnc1.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.CC(F)c1nn(C(C)C)c(C(F)F)c1Cl.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole?
The InChIKey is IVSYVGYLFDTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2.C11H16F2N2.C9H12BrF3N2.C9H12ClF3N2.C9H13F3N2.C8H12F2N2.C7H11N.3C6H10N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;2*1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10;1-6(2)12-5-4-7(11-12)8(3,9)10;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;2*4-5,9H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole?
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole has a molecular weight of 1806.35 g/mol, XLogP of 28.65, 22 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole is sourced from PubChem (CID 158819977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).