3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide

C25H37N3O — CID 71020620

IUPAC3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide
SMILESCC12CCC3C1C3(C)C2NC(=O)CCc1nn(C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C25H37N3O/c1-24-15-14-18-22(24)25(18,2)23(24)26-21(29)13-12-19-17-10-6-7-11-20(17)28(27-19)16-8-4-3-5-9-16/h16,18,22-23H,3-15H2,1-2H3,(H,26,29)
InChIKeyHGSKDSHLRGQPPM-UHFFFAOYSA-N
MW395.59 g/mol
LogP4.75
Rot. Bonds5

About 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide

3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide (PubChem CID 71020620) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide.

Molecular Properties

Compound Name3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide
PubChem CID71020620
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide
SMILESCC12CCC3C1C3(C)C2NC(=O)CCc1nn(C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C25H37N3O/c1-24-15-14-18-22(24)25(18,2)23(24)26-21(29)13-12-19-17-10-6-7-11-20(17)28(27-19)16-8-4-3-5-9-16/h16,18,22-23H,3-15H2,1-2H3,(H,26,29)
InChIKeyHGSKDSHLRGQPPM-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide?
The IUPAC name of 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide (CID 71020620) is 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide.
What is the SMILES notation for 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide?
The canonical SMILES for 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide is CC12CCC3C1C3(C)C2NC(=O)CCc1nn(C2CCCCC2)c2c1CCCC2.
What is the InChIKey of 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide?
The InChIKey is HGSKDSHLRGQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-24-15-14-18-22(24)25(18,2)23(24)26-21(29)13-12-19-17-10-6-7-11-20(17)28(27-19)16-8-4-3-5-9-16/h16,18,22-23H,3-15H2,1-2H3,(H,26,29).
What are the key properties of 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide?
3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide has a molecular weight of 395.59 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-N-(5,7-dimethyl-6-tricyclo[3.2.0.02,7]heptanyl)propanamide is sourced from PubChem (CID 71020620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).