5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide

C12H16N4O3 — CID 55083677

IUPAC5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCCOCCO)c2c1
InChIInChI=1S/C12H16N4O3/c13-8-1-2-10-9(7-8)11(16-15-10)12(18)14-3-5-19-6-4-17/h1-2,7,17H,3-6,13H2,(H,14,18)(H,15,16)
InChIKeyPONBAZFTQAJFDN-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.12
Rot. Bonds6

About 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide

5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide (PubChem CID 55083677) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
PubChem CID55083677
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCCOCCO)c2c1
InChIInChI=1S/C12H16N4O3/c13-8-1-2-10-9(7-8)11(16-15-10)12(18)14-3-5-19-6-4-17/h1-2,7,17H,3-6,13H2,(H,14,18)(H,15,16)
InChIKeyPONBAZFTQAJFDN-UHFFFAOYSA-N
XLogP-0.12
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
CID 106164289
5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
CID 61141140
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 62523247
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
4-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62498759

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide (CID 55083677) is 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide is Nc1ccc2[nH]nc(C(=O)NCCOCCO)c2c1.
What is the InChIKey of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is PONBAZFTQAJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-8-1-2-10-9(7-8)11(16-15-10)12(18)14-3-5-19-6-4-17/h1-2,7,17H,3-6,13H2,(H,14,18)(H,15,16).
What are the key properties of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide?
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 55083677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).