4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide

C18H21N3O2 — CID 46364385

IUPAC4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1nn(-c2ccc(C(=O)NC(C)C)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H21N3O2/c1-11(2)19-18(23)13-7-9-14(10-8-13)21-15-5-4-6-16(22)17(15)12(3)20-21/h7-11H,4-6H2,1-3H3,(H,19,23)
InChIKeyWUCVTGYMTCSCFP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.84
Rot. Bonds3

About 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide

4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide (PubChem CID 46364385) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide
PubChem CID46364385
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1nn(-c2ccc(C(=O)NC(C)C)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H21N3O2/c1-11(2)19-18(23)13-7-9-14(10-8-13)21-15-5-4-6-16(22)17(15)12(3)20-21/h7-11H,4-6H2,1-3H3,(H,19,23)
InChIKeyWUCVTGYMTCSCFP-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide (CID 46364385) is 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide is Cc1nn(-c2ccc(C(=O)NC(C)C)cc2)c2c1C(=O)CCC2.
What is the InChIKey of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is WUCVTGYMTCSCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)19-18(23)13-7-9-14(10-8-13)21-15-5-4-6-16(22)17(15)12(3)20-21/h7-11H,4-6H2,1-3H3,(H,19,23).
What are the key properties of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide?
4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 46364385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).