1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide

C27H41N3O — CID 70827317

IUPAC1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
SMILESCC1(C)C(NC(=O)c2nn(C3CCCCC3)c3c2CCCCCC3)C2(C)CCC3CC312
InChIInChI=1S/C27H41N3O/c1-25(2)24(26(3)16-15-18-17-27(18,25)26)28-23(31)22-20-13-9-4-5-10-14-21(20)30(29-22)19-11-7-6-8-12-19/h18-19,24H,4-17H2,1-3H3,(H,28,31)
InChIKeyXSAZDHAAONOLFR-UHFFFAOYSA-N
MW423.65 g/mol
LogP5.99
Rot. Bonds3

About 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide

1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide (PubChem CID 70827317) has the molecular formula C27H41N3O and a molecular weight of 423.65 g/mol. Its IUPAC name is 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
PubChem CID70827317
Molecular FormulaC27H41N3O
Molecular Weight423.65 g/mol
Exact Mass423.32
IUPAC Name1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
SMILESCC1(C)C(NC(=O)c2nn(C3CCCCC3)c3c2CCCCCC3)C2(C)CCC3CC312
InChIInChI=1S/C27H41N3O/c1-25(2)24(26(3)16-15-18-17-27(18,25)26)28-23(31)22-20-13-9-4-5-10-14-21(20)30(29-22)19-11-7-6-8-12-19/h18-19,24H,4-17H2,1-3H3,(H,28,31)
InChIKeyXSAZDHAAONOLFR-UHFFFAOYSA-N
XLogP5.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-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-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide (CID 70827317) is 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide is CC1(C)C(NC(=O)c2nn(C3CCCCC3)c3c2CCCCCC3)C2(C)CCC3CC312.
What is the InChIKey of 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
The InChIKey is XSAZDHAAONOLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O/c1-25(2)24(26(3)16-15-18-17-27(18,25)26)28-23(31)22-20-13-9-4-5-10-14-21(20)30(29-22)19-11-7-6-8-12-19/h18-19,24H,4-17H2,1-3H3,(H,28,31).
What are the key properties of 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide?
1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide has a molecular weight of 423.65 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(6,8,8-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 70827317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).