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

C66H62Cl3F11N16O4 — CID 157152500

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride
SMILESCC(=O)c1ncccc1F.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1nn(-c2ccc(F)cc2)c2c1N(C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)CCC2.Cc1nn(-c2ccc(F)cc2)c2c1NCCC2.Cc1nn(-c2ccc(F)cc2)c2cccnc12.Cl.NNc1ccc(F)cc1
InChIInChI=1S/C20H18ClF4N5O.C13H14FN3.C13H10FN3.C7H6ClF3N2O2.C7H6FNO.C6H7FN2.ClH/c1-11-18-15(30(26-11)14-7-5-13(22)6-8-14)4-3-9-28(18)16(31)10-29-12(2)17(21)19(27-29)20(23,24)25;2*1-9-13-12(3-2-8-15-13)17(16-9)11-6-4-10(14)5-7-11;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-5(10)7-6(8)3-2-4-9-7;7-5-1-3-6(9-8)4-2-5;/h5-8H,3-4,9-10H2,1-2H3;4-7,15H,2-3,8H2,1H3;2-8H,1H3;2H2,1H3,(H,14,15);2-4H,1H3;1-4,9H,8H2;1H
InChIKeyYCQVMGZCBMFZQT-UHFFFAOYSA-N
MW1458.67 g/mol
LogP14.93
Rot. Bonds9

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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride (PubChem CID 157152500) has the molecular formula C66H62Cl3F11N16O4 and a molecular weight of 1458.67 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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride
PubChem CID157152500
Molecular FormulaC66H62Cl3F11N16O4
Molecular Weight1458.67 g/mol
Exact Mass1456.40
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride
SMILESCC(=O)c1ncccc1F.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1nn(-c2ccc(F)cc2)c2c1N(C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)CCC2.Cc1nn(-c2ccc(F)cc2)c2c1NCCC2.Cc1nn(-c2ccc(F)cc2)c2cccnc12.Cl.NNc1ccc(F)cc1
InChIInChI=1S/C20H18ClF4N5O.C13H14FN3.C13H10FN3.C7H6ClF3N2O2.C7H6FNO.C6H7FN2.ClH/c1-11-18-15(30(26-11)14-7-5-13(22)6-8-14)4-3-9-28(18)16(31)10-29-12(2)17(21)19(27-29)20(23,24)25;2*1-9-13-12(3-2-8-15-13)17(16-9)11-6-4-10(14)5-7-11;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-5(10)7-6(8)3-2-4-9-7;7-5-1-3-6(9-8)4-2-5;/h5-8H,3-4,9-10H2,1-2H3;4-7,15H,2-3,8H2,1H3;2-8H,1H3;2H2,1H3,(H,14,15);2-4H,1H3;1-4,9H,8H2;1H
InChIKeyYCQVMGZCBMFZQT-UHFFFAOYSA-N
XLogP14.93
TPSA239.64 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001458.67
LogP ≤ 514.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

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
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)-5,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-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 162204975
2-(4-chloro-5-methylpyrazol-1-yl)acetic acid;2-(4-chloro-5-methylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(5-methylpyrazol-1-yl)acetic acid
CID 158653931

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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride (CID 157152500) 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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride is CC(=O)c1ncccc1F.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1nn(-c2ccc(F)cc2)c2c1N(C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)CCC2.Cc1nn(-c2ccc(F)cc2)c2c1NCCC2.Cc1nn(-c2ccc(F)cc2)c2cccnc12.Cl.NNc1ccc(F)cc1.
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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride?
The InChIKey is YCQVMGZCBMFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N5O.C13H14FN3.C13H10FN3.C7H6ClF3N2O2.C7H6FNO.C6H7FN2.ClH/c1-11-18-15(30(26-11)14-7-5-13(22)6-8-14)4-3-9-28(18)16(31)10-29-12(2)17(21)19(27-29)20(23,24)25;2*1-9-13-12(3-2-8-15-13)17(16-9)11-6-4-10(14)5-7-11;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-5(10)7-6(8)3-2-4-9-7;7-5-1-3-6(9-8)4-2-5;/h5-8H,3-4,9-10H2,1-2H3;4-7,15H,2-3,8H2,1H3;2-8H,1H3;2H2,1H3,(H,14,15);2-4H,1H3;1-4,9H,8H2;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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride has a molecular weight of 1458.67 g/mol, XLogP of 14.93, 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-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-3-methylpyrazolo[4,5-b]pyridine;1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;1-(3-fluoro-2-pyridinyl)ethanone;hydrochloride is sourced from PubChem (CID 157152500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).