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

C22H27N3O2 — CID 46364382

IUPACN-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CCCCCC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C22H27N3O2/c1-15-21-19(9-6-10-20(21)26)25(24-15)18-13-11-16(12-14-18)22(27)23-17-7-4-2-3-5-8-17/h11-14,17H,2-10H2,1H3,(H,23,27)
InChIKeyPVIQIYNKDRGPRA-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.15
Rot. Bonds3

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

N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (PubChem CID 46364382) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
PubChem CID46364382
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CCCCCC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C22H27N3O2/c1-15-21-19(9-6-10-20(21)26)25(24-15)18-13-11-16(12-14-18)22(27)23-17-7-4-2-3-5-8-17/h11-14,17H,2-10H2,1H3,(H,23,27)
InChIKeyPVIQIYNKDRGPRA-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 46364370
3-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 82590947
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
CID 22583363
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
CID 46364384
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide
CID 6736213
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 25094115
1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 46364376
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The IUPAC name of N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (CID 46364382) is N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.
What is the SMILES notation for N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The canonical SMILES for N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is Cc1nn(-c2ccc(C(=O)NC3CCCCCC3)cc2)c2c1C(=O)CCC2.
What is the InChIKey of N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The InChIKey is PVIQIYNKDRGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-21-19(9-6-10-20(21)26)25(24-15)18-13-11-16(12-14-18)22(27)23-17-7-4-2-3-5-8-17/h11-14,17H,2-10H2,1H3,(H,23,27).
What are the key properties of N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is sourced from PubChem (CID 46364382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).