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

C24H37N3O — CID 24966134

IUPAC1-cyclobutyl-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(C2CCC2)c2c1CCCCCC2
InChIInChI=1S/C24H37N3O/c1-23(2)16-13-14-24(3,15-16)22(23)25-21(28)20-18-11-6-4-5-7-12-19(18)27(26-20)17-9-8-10-17/h16-17,22H,4-15H2,1-3H3,(H,25,28)
InChIKeyROIJKZKGOOJFJO-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.21
Rot. Bonds3

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

1-cyclobutyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide (PubChem CID 24966134) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-cyclobutyl-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-cyclobutyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
PubChem CID24966134
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name1-cyclobutyl-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(C2CCC2)c2c1CCCCCC2
InChIInChI=1S/C24H37N3O/c1-23(2)16-13-14-24(3,15-16)22(23)25-21(28)20-18-11-6-4-5-7-12-19(18)27(26-20)17-9-8-10-17/h16-17,22H,4-15H2,1-3H3,(H,25,28)
InChIKeyROIJKZKGOOJFJO-UHFFFAOYSA-N
XLogP5.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclobutyl-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-cyclobutyl-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-cyclobutyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide (CID 24966134) is 1-cyclobutyl-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-cyclobutyl-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-cyclobutyl-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(C2CCC2)c2c1CCCCCC2.
What is the InChIKey of 1-cyclobutyl-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 ROIJKZKGOOJFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-23(2)16-13-14-24(3,15-16)22(23)25-21(28)20-18-11-6-4-5-7-12-19(18)27(26-20)17-9-8-10-17/h16-17,22H,4-15H2,1-3H3,(H,25,28).
What are the key properties of 1-cyclobutyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
1-cyclobutyl-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 383.58 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-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 24966134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).