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

C15H17N3O — CID 20953956

IUPACN-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCC(C)NC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C15H17N3O/c1-9(2)16-15(19)14-12-8-7-10-5-3-4-6-11(10)13(12)17-18-14/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAZJZMZRBZPTQOO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.31
Rot. Bonds2

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

N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20953956) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20953956
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCC(C)NC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C15H17N3O/c1-9(2)16-15(19)14-12-8-7-10-5-3-4-6-11(10)13(12)17-18-14/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAZJZMZRBZPTQOO-UHFFFAOYSA-N
XLogP2.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20953956) is N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is CC(C)NC(=O)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is AZJZMZRBZPTQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9(2)16-15(19)14-12-8-7-10-5-3-4-6-11(10)13(12)17-18-14/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20953956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).