1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one

C73H85N11O9 — CID 157437646

IUPAC1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one
SMILESCC1CCC(=O)c2cn[nH]c21.CC1CCC2=C(C=NC2)C1=O.CC1CCc2[nH]ncc2C1=O.COc1ccc(Cn2cc3c(n2)C(C)CCC3=O)cc1.COc1ccc(Cn2cc3c(n2)CCC(C)C3=O)cc1.COc1ccc(Cn2ncc3c2C(C)CCC3=O)cc1
InChIInChI=1S/3C16H18N2O2.C9H11NO.2C8H10N2O/c1-11-3-8-15(19)14-9-17-18(16(11)14)10-12-4-6-13(20-2)7-5-12;1-11-3-8-15(19)14-10-18(17-16(11)14)9-12-4-6-13(20-2)7-5-12;1-11-3-8-15-14(16(11)19)10-18(17-15)9-12-4-6-13(20-2)7-5-12;1-6-2-3-7-4-10-5-8(7)9(6)11;1-5-2-3-7(11)6-4-9-10-8(5)6;1-5-2-3-7-6(8(5)11)4-9-10-7/h4-7,9,11H,3,8,10H2,1-2H3;2*4-7,10-11H,3,8-9H2,1-2H3;5-6H,2-4H2,1H3;2*4-5H,2-3H2,1H3,(H,9,10)
InChIKeyBRHIBTPRDZOUFX-UHFFFAOYSA-N
MW1260.55 g/mol
LogP12.78
Rot. Bonds9

About 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one

1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one (PubChem CID 157437646) has the molecular formula C73H85N11O9 and a molecular weight of 1260.55 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one
PubChem CID157437646
Molecular FormulaC73H85N11O9
Molecular Weight1260.55 g/mol
Exact Mass1259.65
IUPAC Name1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one
SMILESCC1CCC(=O)c2cn[nH]c21.CC1CCC2=C(C=NC2)C1=O.CC1CCc2[nH]ncc2C1=O.COc1ccc(Cn2cc3c(n2)C(C)CCC3=O)cc1.COc1ccc(Cn2cc3c(n2)CCC(C)C3=O)cc1.COc1ccc(Cn2ncc3c2C(C)CCC3=O)cc1
InChIInChI=1S/3C16H18N2O2.C9H11NO.2C8H10N2O/c1-11-3-8-15(19)14-9-17-18(16(11)14)10-12-4-6-13(20-2)7-5-12;1-11-3-8-15(19)14-10-18(17-16(11)14)9-12-4-6-13(20-2)7-5-12;1-11-3-8-15-14(16(11)19)10-18(17-15)9-12-4-6-13(20-2)7-5-12;1-6-2-3-7-4-10-5-8(7)9(6)11;1-5-2-3-7(11)6-4-9-10-8(5)6;1-5-2-3-7-6(8(5)11)4-9-10-7/h4-7,9,11H,3,8,10H2,1-2H3;2*4-7,10-11H,3,8-9H2,1-2H3;5-6H,2-4H2,1H3;2*4-5H,2-3H2,1H3,(H,9,10)
InChIKeyBRHIBTPRDZOUFX-UHFFFAOYSA-N
XLogP12.78
TPSA253.29 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.55
LogP ≤ 512.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one with MolForge

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Related Compounds

CID 139082292
CID 139082292
1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one
CID 157190846
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one
CID 158226368
N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine
CID 159829344
tert-butyl 2-(1H-indazol-5-yl)acetate;tert-butyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate;tert-butyl 2-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate
CID 161327449
1-(2-amino-5-chlorophenyl)-2-chloroethanone;3-(azidomethyl)-5-chloro-2H-indazole;4-chloroaniline;5-chloro-3-(chloromethyl)-2H-indazole;(5-chloro-2H-indazol-3-yl)methanamine;3-(5-chloro-2H-indazol-3-yl)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-one
CID 161547077
1-(chloromethyl)-4-methoxybenzene;6,6-dimethyl-5,7-dihydro-1H-indazol-4-one;1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one;2-[(4-methoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 161948819
bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one
CID 167632080

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one (CID 157437646) is 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one is CC1CCC(=O)c2cn[nH]c21.CC1CCC2=C(C=NC2)C1=O.CC1CCc2[nH]ncc2C1=O.COc1ccc(Cn2cc3c(n2)C(C)CCC3=O)cc1.COc1ccc(Cn2cc3c(n2)CCC(C)C3=O)cc1.COc1ccc(Cn2ncc3c2C(C)CCC3=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one?
The InChIKey is BRHIBTPRDZOUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H18N2O2.C9H11NO.2C8H10N2O/c1-11-3-8-15(19)14-9-17-18(16(11)14)10-12-4-6-13(20-2)7-5-12;1-11-3-8-15(19)14-10-18(17-16(11)14)9-12-4-6-13(20-2)7-5-12;1-11-3-8-15-14(16(11)19)10-18(17-15)9-12-4-6-13(20-2)7-5-12;1-6-2-3-7-4-10-5-8(7)9(6)11;1-5-2-3-7(11)6-4-9-10-8(5)6;1-5-2-3-7-6(8(5)11)4-9-10-7/h4-7,9,11H,3,8,10H2,1-2H3;2*4-7,10-11H,3,8-9H2,1-2H3;5-6H,2-4H2,1H3;2*4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one?
1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one has a molecular weight of 1260.55 g/mol, XLogP of 12.78, 9 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one is sourced from PubChem (CID 157437646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).