5-amino-N-ethyl-1H-indazole-3-carboxamide

C10H12N4O — CID 60909138

IUPAC5-amino-N-ethyl-1H-indazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C10H12N4O/c1-2-12-10(15)9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,2,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyNKRSWTIJWADEHH-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.89
Rot. Bonds2

About 5-amino-N-ethyl-1H-indazole-3-carboxamide

5-amino-N-ethyl-1H-indazole-3-carboxamide (PubChem CID 60909138) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-amino-N-ethyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-1H-indazole-3-carboxamide
PubChem CID60909138
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-amino-N-ethyl-1H-indazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C10H12N4O/c1-2-12-10(15)9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,2,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyNKRSWTIJWADEHH-UHFFFAOYSA-N
XLogP0.89
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-ethyl-1H-indazole-3-carboxamide (CID 60909138) is 5-amino-N-ethyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-1H-indazole-3-carboxamide is CCNC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-ethyl-1H-indazole-3-carboxamide?
The InChIKey is NKRSWTIJWADEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-12-10(15)9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,2,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-amino-N-ethyl-1H-indazole-3-carboxamide?
5-amino-N-ethyl-1H-indazole-3-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 60909138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).