2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole

C72H63BCl3F14N21O12 — CID 158710060

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)O.Cc1c(Cl)c(C(F)(F)F)nn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.Nc1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C18H16ClF4N5O2.C18H14ClF4N5O.C9H10ClF3N2O3.C9H6FN3O2.C9H8FN3.C6H6BFO2.C3H3N3O2/c1-10-15(19)16(18(21,22)23)26-28(10)14(6-7-29)17(30)25-12-8-24-27(9-12)13-4-2-11(20)3-5-13;1-10-15(19)16(18(21,22)23)25-28(10)14-6-7-26(17(14)29)13-8-24-27(9-13)12-4-2-11(20)3-5-12;1-4-6(10)7(9(11,12)13)14-15(4)5(2-3-16)8(17)18;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13;8-6-3-1-5(2-4-6)7(9)10;7-6(8)3-1-4-5-2-3/h2-5,8-9,14,29H,6-7H2,1H3,(H,25,30);2-5,8-9,14H,6-7H2,1H3;5,16H,2-3H2,1H3,(H,17,18);1-6H;1-6H,11H2;1-4,9-10H;1-2H,(H,4,5)
InChIKeyIIPKAPANZYRNFA-UHFFFAOYSA-N
MW1797.57 g/mol
LogP13.13
Rot. Bonds18

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole (PubChem CID 158710060) has the molecular formula C72H63BCl3F14N21O12 and a molecular weight of 1797.57 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole
PubChem CID158710060
Molecular FormulaC72H63BCl3F14N21O12
Molecular Weight1797.57 g/mol
Exact Mass1795.39
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)O.Cc1c(Cl)c(C(F)(F)F)nn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.Nc1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C18H16ClF4N5O2.C18H14ClF4N5O.C9H10ClF3N2O3.C9H6FN3O2.C9H8FN3.C6H6BFO2.C3H3N3O2/c1-10-15(19)16(18(21,22)23)26-28(10)14(6-7-29)17(30)25-12-8-24-27(9-12)13-4-2-11(20)3-5-13;1-10-15(19)16(18(21,22)23)25-28(10)14-6-7-26(17(14)29)13-8-24-27(9-13)12-4-2-11(20)3-5-12;1-4-6(10)7(9(11,12)13)14-15(4)5(2-3-16)8(17)18;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13;8-6-3-1-5(2-4-6)7(9)10;7-6(8)3-1-4-5-2-3/h2-5,8-9,14,29H,6-7H2,1H3,(H,25,30);2-5,8-9,14H,6-7H2,1H3;5,16H,2-3H2,1H3,(H,17,18);1-6H;1-6H,11H2;1-4,9-10H;1-2H,(H,4,5)
InChIKeyIIPKAPANZYRNFA-UHFFFAOYSA-N
XLogP13.13
TPSA433.35 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.57
LogP ≤ 513.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole (CID 158710060) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole is Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)O.Cc1c(Cl)c(C(F)(F)F)nn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.Nc1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.OB(O)c1ccc(F)cc1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?
The InChIKey is IIPKAPANZYRNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N5O2.C18H14ClF4N5O.C9H10ClF3N2O3.C9H6FN3O2.C9H8FN3.C6H6BFO2.C3H3N3O2/c1-10-15(19)16(18(21,22)23)26-28(10)14(6-7-29)17(30)25-12-8-24-27(9-12)13-4-2-11(20)3-5-13;1-10-15(19)16(18(21,22)23)25-28(10)14-6-7-26(17(14)29)13-8-24-27(9-13)12-4-2-11(20)3-5-12;1-4-6(10)7(9(11,12)13)14-15(4)5(2-3-16)8(17)18;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13;8-6-3-1-5(2-4-6)7(9)10;7-6(8)3-1-4-5-2-3/h2-5,8-9,14,29H,6-7H2,1H3,(H,25,30);2-5,8-9,14H,6-7H2,1H3;5,16H,2-3H2,1H3,(H,17,18);1-6H;1-6H,11H2;1-4,9-10H;1-2H,(H,4,5).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole has a molecular weight of 1797.57 g/mol, XLogP of 13.13, 18 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole is sourced from PubChem (CID 158710060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).