N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide

C21H25N3O2 — CID 20887881

IUPACN-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CCCCC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C21H25N3O2/c1-14-20-18(8-5-9-19(20)25)24(23-14)17-12-10-15(11-13-17)21(26)22-16-6-3-2-4-7-16/h10-13,16H,2-9H2,1H3,(H,22,26)
InChIKeyVYMOLWFWMKTJIG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.76
Rot. Bonds3

About N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide

N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (PubChem CID 20887881) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
PubChem CID20887881
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CCCCC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C21H25N3O2/c1-14-20-18(8-5-9-19(20)25)24(23-14)17-12-10-15(11-13-17)21(26)22-16-6-3-2-4-7-16/h10-13,16H,2-9H2,1H3,(H,22,26)
InChIKeyVYMOLWFWMKTJIG-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (CID 20887881) is N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is Cc1nn(-c2ccc(C(=O)NC3CCCCC3)cc2)c2c1C(=O)CCC2.
What is the InChIKey of N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The InChIKey is VYMOLWFWMKTJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-20-18(8-5-9-19(20)25)24(23-14)17-12-10-15(11-13-17)21(26)22-16-6-3-2-4-7-16/h10-13,16H,2-9H2,1H3,(H,22,26).
What are the key properties of N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is sourced from PubChem (CID 20887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).