5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide

C13H18N4O2 — CID 81053101

IUPAC5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
SMILESCCOCCN(C)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C13H18N4O2/c1-3-19-7-6-17(2)13(18)12-10-8-9(14)4-5-11(10)15-16-12/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyBZSNTILJLRZBLS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.25
Rot. Bonds5

About 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide

5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide (PubChem CID 81053101) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
PubChem CID81053101
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
SMILESCCOCCN(C)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C13H18N4O2/c1-3-19-7-6-17(2)13(18)12-10-8-9(14)4-5-11(10)15-16-12/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyBZSNTILJLRZBLS-UHFFFAOYSA-N
XLogP1.25
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 61107883
4-amino-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81074023
5-amino-N-(2-hydroxyethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 54944396
5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide
CID 115985170
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
CID 55083677
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide (CID 81053101) is 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide is CCOCCN(C)C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is BZSNTILJLRZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-19-7-6-17(2)13(18)12-10-8-9(14)4-5-11(10)15-16-12/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide?
5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 81053101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).