cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone

C23H26N2O3 — CID 6273883

IUPACcyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
SMILESO=C(C1CCCCC1)N1N=C2/C(=C\c3ccco3)CCCC2C1c1ccco1
InChIInChI=1S/C23H26N2O3/c26-23(16-7-2-1-3-8-16)25-22(20-12-6-14-28-20)19-11-4-9-17(21(19)24-25)15-18-10-5-13-27-18/h5-6,10,12-16,19,22H,1-4,7-9,11H2/b17-15-
InChIKeyZZJQCYTYPWLKLR-ICFOKQHNSA-N
MW378.47 g/mol
LogP5.58
Rot. Bonds3

About cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone

cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone (PubChem CID 6273883) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
PubChem CID6273883
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namecyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
SMILESO=C(C1CCCCC1)N1N=C2/C(=C\c3ccco3)CCCC2C1c1ccco1
InChIInChI=1S/C23H26N2O3/c26-23(16-7-2-1-3-8-16)25-22(20-12-6-14-28-20)19-11-4-9-17(21(19)24-25)15-18-10-5-13-27-18/h5-6,10,12-16,19,22H,1-4,7-9,11H2/b17-15-
InChIKeyZZJQCYTYPWLKLR-ICFOKQHNSA-N
XLogP5.58
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
The IUPAC name of cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone (CID 6273883) is cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
The canonical SMILES for cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is O=C(C1CCCCC1)N1N=C2/C(=C\c3ccco3)CCCC2C1c1ccco1.
What is the InChIKey of cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
The InChIKey is ZZJQCYTYPWLKLR-ICFOKQHNSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-23(16-7-2-1-3-8-16)25-22(20-12-6-14-28-20)19-11-4-9-17(21(19)24-25)15-18-10-5-13-27-18/h5-6,10,12-16,19,22H,1-4,7-9,11H2/b17-15-.
What are the key properties of cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is sourced from PubChem (CID 6273883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).