3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

C24H26N4O2 — CID 24790662

IUPAC3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H26N4O2/c1-15-10-16(2)12-20(11-15)28-23-9-5-8-22(21(23)14-25-28)27-24(30)18-6-4-7-19(13-18)26-17(3)29/h4,6-7,10-14,22H,5,8-9H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyXDGRVPHQRCNMHU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.25
Rot. Bonds4

About 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (PubChem CID 24790662) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
PubChem CID24790662
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H26N4O2/c1-15-10-16(2)12-20(11-15)28-23-9-5-8-22(21(23)14-25-28)27-24(30)18-6-4-7-19(13-18)26-17(3)29/h4,6-7,10-14,22H,5,8-9H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyXDGRVPHQRCNMHU-UHFFFAOYSA-N
XLogP4.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 24790169
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44819880
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77068373
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
CID 51124341
3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 56731415
N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 42290126
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
CID 45206380
(2R)-N-[3-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 93252443
(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide
CID 29023361
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide
CID 42196745
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The IUPAC name of 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (CID 24790662) is 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is CC(=O)Nc1cccc(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The InChIKey is XDGRVPHQRCNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-10-16(2)12-20(11-15)28-23-9-5-8-22(21(23)14-25-28)27-24(30)18-6-4-7-19(13-18)26-17(3)29/h4,6-7,10-14,22H,5,8-9H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is sourced from PubChem (CID 24790662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).