6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole

C60H62Cl2F3N15O11 — CID 159672992

IUPAC6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
SMILESC=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1Cl)C2.COc1cc(OC)c(Cl)c(C2CCc3c(-c4c([N+](=O)[O-])cnn4C)n[nH]c3C2)c1F.COc1cc(OC)c(F)c(C2CCc3c(-c4c([N+](=O)[O-])cnn4C)n[nH]c3C2)c1
InChIInChI=1S/C22H23ClFN5O3.C19H19ClFN5O4.C19H20FN5O4/c1-5-17(30)26-14-10-25-29(2)22(14)21-12-7-6-11(8-13(12)27-28-21)18-19(23)15(31-3)9-16(32-4)20(18)24;1-25-19(12(8-22-25)26(27)28)18-10-5-4-9(6-11(10)23-24-18)15-16(20)13(29-2)7-14(30-3)17(15)21;1-24-19(15(9-21-24)25(26)27)18-12-5-4-10(6-14(12)22-23-18)13-7-11(28-2)8-16(29-3)17(13)20/h5,9-11H,1,6-8H2,2-4H3,(H,26,30)(H,27,28);7-9H,4-6H2,1-3H3,(H,23,24);7-10H,4-6H2,1-3H3,(H,22,23)
InChIKeyMUFSKNOYTCXAMO-UHFFFAOYSA-N
MW1297.15 g/mol
LogP10.96
Rot. Bonds16

About 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole

6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 159672992) has the molecular formula C60H62Cl2F3N15O11 and a molecular weight of 1297.15 g/mol. Its IUPAC name is 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID159672992
Molecular FormulaC60H62Cl2F3N15O11
Molecular Weight1297.15 g/mol
Exact Mass1295.41
IUPAC Name6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
SMILESC=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1Cl)C2.COc1cc(OC)c(Cl)c(C2CCc3c(-c4c([N+](=O)[O-])cnn4C)n[nH]c3C2)c1F.COc1cc(OC)c(F)c(C2CCc3c(-c4c([N+](=O)[O-])cnn4C)n[nH]c3C2)c1
InChIInChI=1S/C22H23ClFN5O3.C19H19ClFN5O4.C19H20FN5O4/c1-5-17(30)26-14-10-25-29(2)22(14)21-12-7-6-11(8-13(12)27-28-21)18-19(23)15(31-3)9-16(32-4)20(18)24;1-25-19(12(8-22-25)26(27)28)18-10-5-4-9(6-11(10)23-24-18)15-16(20)13(29-2)7-14(30-3)17(15)21;1-24-19(15(9-21-24)25(26)27)18-12-5-4-10(6-14(12)22-23-18)13-7-11(28-2)8-16(29-3)17(13)20/h5,9-11H,1,6-8H2,2-4H3,(H,26,30)(H,27,28);7-9H,4-6H2,1-3H3,(H,23,24);7-10H,4-6H2,1-3H3,(H,22,23)
InChIKeyMUFSKNOYTCXAMO-UHFFFAOYSA-N
XLogP10.96
TPSA310.26 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001297.15
LogP ≤ 510.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole with MolForge

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Related Compounds

N-[5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 165094310
N-[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 155673625
N-[5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 164782001
N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 159673361
N-[4-chloro-2-[(6R)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 138458016
N-[2-[(6S)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 155065795
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]prop-2-enamide
CID 138457815
N-[2-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 142540685
N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-(dipropylamino)phenyl]prop-2-enamide
CID 154987636
N-[2-[(6S)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-enamide
CID 138458017
N-[2-[(6R)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-enamide
CID 138457991
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 151915585

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole (CID 159672992) is 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole is C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1Cl)C2.COc1cc(OC)c(Cl)c(C2CCc3c(-c4c([N+](=O)[O-])cnn4C)n[nH]c3C2)c1F.COc1cc(OC)c(F)c(C2CCc3c(-c4c([N+](=O)[O-])cnn4C)n[nH]c3C2)c1.
What is the InChIKey of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is MUFSKNOYTCXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3.C19H19ClFN5O4.C19H20FN5O4/c1-5-17(30)26-14-10-25-29(2)22(14)21-12-7-6-11(8-13(12)27-28-21)18-19(23)15(31-3)9-16(32-4)20(18)24;1-25-19(12(8-22-25)26(27)28)18-10-5-4-9(6-11(10)23-24-18)15-16(20)13(29-2)7-14(30-3)17(15)21;1-24-19(15(9-21-24)25(26)27)18-12-5-4-10(6-14(12)22-23-18)13-7-11(28-2)8-16(29-3)17(13)20/h5,9-11H,1,6-8H2,2-4H3,(H,26,30)(H,27,28);7-9H,4-6H2,1-3H3,(H,23,24);7-10H,4-6H2,1-3H3,(H,22,23).
What are the key properties of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 1297.15 g/mol, XLogP of 10.96, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 159672992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).