N-benzylindazole-1-carboxamide

C15H13N3O — CID 53033776

IUPACN-benzylindazole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1ncc2ccccc21
InChIInChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)11-17-18/h1-9,11H,10H2,(H,16,19)
InChIKeyXAIMOSDUXLRUFO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.79
Rot. Bonds2

About N-benzylindazole-1-carboxamide

N-benzylindazole-1-carboxamide (PubChem CID 53033776) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzylindazole-1-carboxamide.

Molecular Properties

Compound NameN-benzylindazole-1-carboxamide
PubChem CID53033776
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-benzylindazole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1ncc2ccccc21
InChIInChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)11-17-18/h1-9,11H,10H2,(H,16,19)
InChIKeyXAIMOSDUXLRUFO-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-indazol-1-ylurea
CID 91271195
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
2-hydroxy-1-indazol-1-ylethanone
CID 141178771
N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
CID 175830927
N-(4-fluorophenyl)indazole-1-carboxamide
CID 53033778
N-(2-bromophenyl)indazole-1-carboxamide
CID 53033767
indazole-1-carboxamide;trihydrochloride
CID 173083346
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
2-hydroxyethyl indazole-1-carboxylate
CID 141178752
N-benzyl-2,5-dioxopyrrole-1-carboxamide
CID 13227743
propyl indazole-1-carboxylate
CID 71095858
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882

Frequently Asked Questions

What is the IUPAC name of N-benzylindazole-1-carboxamide?
The IUPAC name of N-benzylindazole-1-carboxamide (CID 53033776) is N-benzylindazole-1-carboxamide.
What is the SMILES notation for N-benzylindazole-1-carboxamide?
The canonical SMILES for N-benzylindazole-1-carboxamide is O=C(NCc1ccccc1)n1ncc2ccccc21.
What is the InChIKey of N-benzylindazole-1-carboxamide?
The InChIKey is XAIMOSDUXLRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)11-17-18/h1-9,11H,10H2,(H,16,19).
What are the key properties of N-benzylindazole-1-carboxamide?
N-benzylindazole-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylindazole-1-carboxamide is sourced from PubChem (CID 53033776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).