1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide

C109H92F30N26O7 — CID 158622182

IUPAC1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CC1=NC(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)=C(C)C1.Cc1onc(C(C)C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccn2C2CC2)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1F
InChIInChI=1S/C19H18F4N4O2.C19H16F4N4O.C19H18F4N4O.C18H16F4N4O.2C17H12F7N5O/c1-9(2)17-16(10(3)29-26-17)18(28)24-11-5-6-12(13(20)7-11)14-8-15(19(21,22)23)25-27(14)4;1-26-16(10-17(25-26)19(21,22)23)13-7-4-11(9-14(13)20)24-18(28)15-3-2-8-27(15)12-5-6-12;1-11(2)27-8-4-5-15(27)18(28)24-12-6-7-13(14(20)9-12)16-10-17(19(21,22)23)25-26(16)3;1-9-6-10(2)23-16(9)17(27)24-11-4-5-12(13(19)7-11)14-8-15(18(20,21)22)25-26(14)3;2*1-28-12(6-13(27-28)16(19,20)21)9-4-3-8(5-11(9)18)26-15(30)10-7-25-29(2)14(10)17(22,23)24/h5-9H,1-4H3,(H,24,28);2-4,7-10,12H,5-6H2,1H3,(H,24,28);4-11H,1-3H3,(H,24,28);4-5,7-8H,6H2,1-3H3,(H,24,27);2*3-7H,1-2H3,(H,26,30)
InChIKeyHYDHJTOXXQVOHB-UHFFFAOYSA-N
MW2448.05 g/mol
LogP27.25
Rot. Bonds21

About 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide

1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 158622182) has the molecular formula C109H92F30N26O7 and a molecular weight of 2448.05 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID158622182
Molecular FormulaC109H92F30N26O7
Molecular Weight2448.05 g/mol
Exact Mass2446.72
IUPAC Name1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CC1=NC(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)=C(C)C1.Cc1onc(C(C)C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccn2C2CC2)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1F
InChIInChI=1S/C19H18F4N4O2.C19H16F4N4O.C19H18F4N4O.C18H16F4N4O.2C17H12F7N5O/c1-9(2)17-16(10(3)29-26-17)18(28)24-11-5-6-12(13(20)7-11)14-8-15(19(21,22)23)25-27(14)4;1-26-16(10-17(25-26)19(21,22)23)13-7-4-11(9-14(13)20)24-18(28)15-3-2-8-27(15)12-5-6-12;1-11(2)27-8-4-5-15(27)18(28)24-12-6-7-13(14(20)9-12)16-10-17(19(21,22)23)25-26(16)3;1-9-6-10(2)23-16(9)17(27)24-11-4-5-12(13(19)7-11)14-8-15(18(20,21)22)25-26(14)3;2*1-28-12(6-13(27-28)16(19,20)21)9-4-3-8(5-11(9)18)26-15(30)10-7-25-29(2)14(10)17(22,23)24/h5-9H,1-4H3,(H,24,28);2-4,7-10,12H,5-6H2,1H3,(H,24,28);4-11H,1-3H3,(H,24,28);4-5,7-8H,6H2,1-3H3,(H,24,27);2*3-7H,1-2H3,(H,26,30)
InChIKeyHYDHJTOXXQVOHB-UHFFFAOYSA-N
XLogP27.25
TPSA365.41 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002448.05
LogP ≤ 527.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 158622182) is 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CC1=NC(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)=C(C)C1.Cc1onc(C(C)C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccn2C2CC2)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1F.
What is the InChIKey of 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HYDHJTOXXQVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O2.C19H16F4N4O.C19H18F4N4O.C18H16F4N4O.2C17H12F7N5O/c1-9(2)17-16(10(3)29-26-17)18(28)24-11-5-6-12(13(20)7-11)14-8-15(19(21,22)23)25-27(14)4;1-26-16(10-17(25-26)19(21,22)23)13-7-4-11(9-14(13)20)24-18(28)15-3-2-8-27(15)12-5-6-12;1-11(2)27-8-4-5-15(27)18(28)24-12-6-7-13(14(20)9-12)16-10-17(19(21,22)23)25-26(16)3;1-9-6-10(2)23-16(9)17(27)24-11-4-5-12(13(19)7-11)14-8-15(18(20,21)22)25-26(14)3;2*1-28-12(6-13(27-28)16(19,20)21)9-4-3-8(5-11(9)18)26-15(30)10-7-25-29(2)14(10)17(22,23)24/h5-9H,1-4H3,(H,24,28);2-4,7-10,12H,5-6H2,1H3,(H,24,28);4-11H,1-3H3,(H,24,28);4-5,7-8H,6H2,1-3H3,(H,24,27);2*3-7H,1-2H3,(H,26,30).
What are the key properties of 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 2448.05 g/mol, XLogP of 27.25, 21 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide);N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 158622182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).