N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C17H19N3O — CID 20953937

IUPACN-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C17H19N3O/c21-17(18-12-6-2-3-7-12)16-14-10-9-11-5-1-4-8-13(11)15(14)19-20-16/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,18,21)(H,19,20)
InChIKeyMTSOBMCVOZTUPU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds2

About N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20953937) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20953937
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C17H19N3O/c21-17(18-12-6-2-3-7-12)16-14-10-9-11-5-1-4-8-13(11)15(14)19-20-16/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,18,21)(H,19,20)
InChIKeyMTSOBMCVOZTUPU-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20953937) is N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(NC1CCCC1)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is MTSOBMCVOZTUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(18-12-6-2-3-7-12)16-14-10-9-11-5-1-4-8-13(11)15(14)19-20-16/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20953937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).