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

C18H19N3O2 — CID 46364387

IUPACN-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H19N3O2/c1-11-17-15(3-2-4-16(17)22)21(20-11)14-9-5-12(6-10-14)18(23)19-13-7-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,19,23)
InChIKeyQSMXFXCZSMCBFR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.59
Rot. Bonds3

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

N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (PubChem CID 46364387) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
PubChem CID46364387
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H19N3O2/c1-11-17-15(3-2-4-16(17)22)21(20-11)14-9-5-12(6-10-14)18(23)19-13-7-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,19,23)
InChIKeyQSMXFXCZSMCBFR-UHFFFAOYSA-N
XLogP2.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (CID 46364387) is N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is Cc1nn(-c2ccc(C(=O)NC3CC3)cc2)c2c1C(=O)CCC2.
What is the InChIKey of N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The InChIKey is QSMXFXCZSMCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-17-15(3-2-4-16(17)22)21(20-11)14-9-5-12(6-10-14)18(23)19-13-7-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,19,23).
What are the key properties of N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is sourced from PubChem (CID 46364387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).