2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride

C62H50Cl3F15N16O4 — CID 161046749

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride (PubChem CID 161046749) has the molecular formula C62H50Cl3F15N16O4 and a molecular weight of 1474.52 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride
• PubChem CID: 161046749
• Molecular Formula: C62H50Cl3F15N16O4
• Molecular Weight: 1474.52 g/mol
• Exact Mass: 1472.30
• IUPAC Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1F.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cl.Fc1ccc(-n2ncc3c2CCCN3)c(F)c1.Fc1ccc(-n2ncc3ncccc32)c(F)c1.NNc1ccc(F)cc1F.O=Cc1ncccc1F
• InChI: InChI=1S/C19H15ClF5N5O.C12H11F2N3.C12H7F2N3.C7H6ClF3N2O2.C6H6F2N2.C6H4FNO.ClH/c1-10-17(20)18(19(23,24)25)27-29(10)9-16(31)28-6-2-3-14-15(28)8-26-30(14)13-5-4-11(21)7-12(13)22;2*13-8-3-4-11(9(14)6-8)17-12-2-1-5-15-10(12)7-16-17;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;7-4-1-2-6(10-9)5(8)3-4;7-5-2-1-3-8-6(5)4-9;/h4-5,7-8H,2-3,6,9H2,1H3;3-4,6-7,15H,1-2,5H2;1-7H;2H2,1H3,(H,14,15);1-3,10H,9H2;1-4H;1H
• InChIKey: RZHCQWWQAUZGCC-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 239.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.52
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride?

The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride (CID 161046749) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride.

What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride?

The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1F.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cl.Fc1ccc(-n2ncc3c2CCCN3)c(F)c1.Fc1ccc(-n2ncc3ncccc32)c(F)c1.NNc1ccc(F)cc1F.O=Cc1ncccc1F.

What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride?

The InChIKey is RZHCQWWQAUZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF5N5O.C12H11F2N3.C12H7F2N3.C7H6ClF3N2O2.C6H6F2N2.C6H4FNO.ClH/c1-10-17(20)18(19(23,24)25)27-29(10)9-16(31)28-6-2-3-14-15(28)8-26-30(14)13-5-4-11(21)7-12(13)22;2*13-8-3-4-11(9(14)6-8)17-12-2-1-5-15-10(12)7-16-17;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;7-4-1-2-6(10-9)5(8)3-4;7-5-2-1-3-8-6(5)4-9;/h4-5,7-8H,2-3,6,9H2,1H3;3-4,6-7,15H,1-2,5H2;1-7H;2H2,1H3,(H,14,15);1-3,10H,9H2;1-4H;1H.

What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride?

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride has a molecular weight of 1474.52 g/mol, XLogP of 14.17, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(2,4-difluorophenyl)hydrazine;1-(2,4-difluorophenyl)pyrazolo[4,5-b]pyridine;1-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;3-fluoropyridine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 161046749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).