1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide

C21H23N3O3 — CID 71049874

IUPAC1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide
SMILESCOc1ccc(-n2c(=O)c3cc(C(N)=O)ccc3n2C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-10-8-16(9-11-17)24-21(26)18-13-14(20(22)25)7-12-19(18)23(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,22,25)
InChIKeyWUEXXYDTCVHWGW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.40
Rot. Bonds4

About 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide

1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide (PubChem CID 71049874) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide
PubChem CID71049874
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide
SMILESCOc1ccc(-n2c(=O)c3cc(C(N)=O)ccc3n2C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-10-8-16(9-11-17)24-21(26)18-13-14(20(22)25)7-12-19(18)23(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,22,25)
InChIKeyWUEXXYDTCVHWGW-UHFFFAOYSA-N
XLogP3.40
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 89225225
CID 89225225
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide (CID 71049874) is 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide is COc1ccc(-n2c(=O)c3cc(C(N)=O)ccc3n2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide?
The InChIKey is WUEXXYDTCVHWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-17-10-8-16(9-11-17)24-21(26)18-13-14(20(22)25)7-12-19(18)23(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,22,25).
What are the key properties of 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide?
1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide is sourced from PubChem (CID 71049874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).