6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide

C24H30N6O3S — CID 73293239

IUPAC6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)CCc2c(C(=O)Nc3cnn(C(c4ccccc4)C4CN(S(C)(=O)=O)C4)c3)n[nH]c2C1
InChIInChI=1S/C24H30N6O3S/c1-24(2)10-9-19-20(11-24)27-28-21(19)23(31)26-18-12-25-30(15-18)22(16-7-5-4-6-8-16)17-13-29(14-17)34(3,32)33/h4-8,12,15,17,22H,9-11,13-14H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyGDBJHEZNIGXEDJ-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.85
Rot. Bonds6

About 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide

6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide (PubChem CID 73293239) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
PubChem CID73293239
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)CCc2c(C(=O)Nc3cnn(C(c4ccccc4)C4CN(S(C)(=O)=O)C4)c3)n[nH]c2C1
InChIInChI=1S/C24H30N6O3S/c1-24(2)10-9-19-20(11-24)27-28-21(19)23(31)26-18-12-25-30(15-18)22(16-7-5-4-6-8-16)17-13-29(14-17)34(3,32)33/h4-8,12,15,17,22H,9-11,13-14H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyGDBJHEZNIGXEDJ-UHFFFAOYSA-N
XLogP2.85
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,6-dimethyl-N-[1-[(1-methylsulfonylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037409
N-[1-(3-amino-1-phenylpropyl)pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037626
N-[1-[azetidin-3-yl-(3-methylphenyl)methyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293241
N-[1-[(1,1-dioxo-1,4-thiazinan-3-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037990
N-[1-[(1,1-dihydroxy-1,4-thiazinan-2-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 118116590
N-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 74983355
N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037346
6,6-dimethyl-N-[1-[(1-oxothian-4-yl)-pyridin-3-ylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90036819
3-[[1-[3-[ethyl(sulfino)amino]-1-phenylpropyl]pyrazol-4-yl]carbamoyl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 122669350
6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
CID 162014645
6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-amine;N-[1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 158887953
N-[1-[(1,1-dioxothian-2-yl)-phenylmethyl]pyrazol-4-yl]-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazole-3-carboxamide
CID 118116084

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide (CID 73293239) is 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide is CC1(C)CCc2c(C(=O)Nc3cnn(C(c4ccccc4)C4CN(S(C)(=O)=O)C4)c3)n[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
The InChIKey is GDBJHEZNIGXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-24(2)10-9-19-20(11-24)27-28-21(19)23(31)26-18-12-25-30(15-18)22(16-7-5-4-6-8-16)17-13-29(14-17)34(3,32)33/h4-8,12,15,17,22H,9-11,13-14H2,1-3H3,(H,26,31)(H,27,28).
What are the key properties of 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 73293239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).