2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide

C17H18N4O — CID 44549776

IUPAC2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C17H18N4O/c1-2-19-10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)20-21/h3-9,11,19H,2,10H2,1H3,(H2,18,22)
InChIKeyLFRJYXYHAKNOIJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide

2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 44549776) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID44549776
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C17H18N4O/c1-2-19-10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)20-21/h3-9,11,19H,2,10H2,1H3,(H2,18,22)
InChIKeyLFRJYXYHAKNOIJ-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide (CID 44549776) is 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide is CCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is LFRJYXYHAKNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-19-10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)20-21/h3-9,11,19H,2,10H2,1H3,(H2,18,22).
What are the key properties of 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide?
2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).