1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide

C25H39N3O — CID 24966485

IUPAC1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1nn(C2CCCC2)c2c1CCCCCC2
InChIInChI=1S/C25H39N3O/c1-24(2)17-14-15-25(3,16-17)23(24)26-22(29)21-19-12-6-4-5-7-13-20(19)28(27-21)18-10-8-9-11-18/h17-18,23H,4-16H2,1-3H3,(H,26,29)
InChIKeyQMNUOFHWWAAOMN-UHFFFAOYSA-N
MW397.61 g/mol
LogP5.60
Rot. Bonds3

About 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide

1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide (PubChem CID 24966485) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
PubChem CID24966485
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC Name1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1nn(C2CCCC2)c2c1CCCCCC2
InChIInChI=1S/C25H39N3O/c1-24(2)17-14-15-25(3,16-17)23(24)26-22(29)21-19-12-6-4-5-7-13-20(19)28(27-21)18-10-8-9-11-18/h17-18,23H,4-16H2,1-3H3,(H,26,29)
InChIKeyQMNUOFHWWAAOMN-UHFFFAOYSA-N
XLogP5.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide (CID 24966485) is 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(C2CCCC2)c2c1CCCCCC2.
What is the InChIKey of 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
The InChIKey is QMNUOFHWWAAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O/c1-24(2)17-14-15-25(3,16-17)23(24)26-22(29)21-19-12-6-4-5-7-13-20(19)28(27-21)18-10-8-9-11-18/h17-18,23H,4-16H2,1-3H3,(H,26,29).
What are the key properties of 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide has a molecular weight of 397.61 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 24966485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).