1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C25H33N3O2 — CID 59836485

IUPAC1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)c3c2CCCC3)cc1
InChIInChI=1S/C25H33N3O2/c1-24(2)16-13-14-25(3,15-16)23(24)26-22(29)21-19-7-5-6-8-20(19)28(27-21)17-9-11-18(30-4)12-10-17/h9-12,16,23H,5-8,13-15H2,1-4H3,(H,26,29)
InChIKeyXVSQHLOIYMJZKI-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 59836485) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID59836485
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)c3c2CCCC3)cc1
InChIInChI=1S/C25H33N3O2/c1-24(2)16-13-14-25(3,15-16)23(24)26-22(29)21-19-7-5-6-8-20(19)28(27-21)17-9-11-18(30-4)12-10-17/h9-12,16,23H,5-8,13-15H2,1-4H3,(H,26,29)
InChIKeyXVSQHLOIYMJZKI-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 59836485) is 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1ccc(-n2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)c3c2CCCC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is XVSQHLOIYMJZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-24(2)16-13-14-25(3,15-16)23(24)26-22(29)21-19-7-5-6-8-20(19)28(27-21)17-9-11-18(30-4)12-10-17/h9-12,16,23H,5-8,13-15H2,1-4H3,(H,26,29).
What are the key properties of 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 59836485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).