1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride

C20H25ClN6O5 — CID 158578394

IUPAC1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride
SMILESCNOC.CON(C)C(=O)c1n[nH]c2ccccc12.Cl.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C10H11N3O2.C8H6N2O2.C2H7NO.ClH/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-3-4-2;/h3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);3H,1-2H3;1H
InChIKeyWMOZAZZXPQPDPC-UHFFFAOYSA-N
MW464.91 g/mol
LogP2.65
Rot. Bonds4

About 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride

1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 158578394) has the molecular formula C20H25ClN6O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride
PubChem CID158578394
Molecular FormulaC20H25ClN6O5
Molecular Weight464.91 g/mol
Exact Mass464.16
IUPAC Name1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride
SMILESCNOC.CON(C)C(=O)c1n[nH]c2ccccc12.Cl.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C10H11N3O2.C8H6N2O2.C2H7NO.ClH/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-3-4-2;/h3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);3H,1-2H3;1H
InChIKeyWMOZAZZXPQPDPC-UHFFFAOYSA-N
XLogP2.65
TPSA145.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid
CID 92755744
CID 139045302
CID 139045302
CID 139053955
CID 139053955
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1H-indazole-3-carboxamide
CID 109876320
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 137863031
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-fluoro-1H-indazole-3-carboxylate
CID 165974278
benzotriazol-1-yl 1H-indazole-3-carboxylate
CID 58351080
6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid
CID 69111044
5-fluoro-1-propan-2-ylindazole-3-carboxylic acid;methyl 5-fluoro-1H-indazole-3-carboxylate
CID 69639510
5-chloro-1H-indazole-3-carboxylic acid;5-iodo-N-piperidin-4-yl-1H-indazole-3-carboxamide
CID 69689774
1H-indazole-3-carboxylic acid;1-methylindazol-1-ium-1-carboxylate
CID 69849236
1H-indazole-3-carboxylic acid;N-methoxymethanamine
CID 87675223

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride (CID 158578394) is 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride is CNOC.CON(C)C(=O)c1n[nH]c2ccccc12.Cl.O=C(O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is WMOZAZZXPQPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C8H6N2O2.C2H7NO.ClH/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-3-4-2;/h3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);3H,1-2H3;1H.
What are the key properties of 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride?
1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 464.91 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 158578394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).