5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide

C12H16N4O — CID 54944712

IUPAC5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
SMILESCCCN(C)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O/c1-3-6-16(2)12(17)11-9-7-8(13)4-5-10(9)14-15-11/h4-5,7H,3,6,13H2,1-2H3,(H,14,15)
InChIKeySAFLDWGDCVESHR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide

5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide (PubChem CID 54944712) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
PubChem CID54944712
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
SMILESCCCN(C)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O/c1-3-6-16(2)12(17)11-9-7-8(13)4-5-10(9)14-15-11/h4-5,7H,3,6,13H2,1-2H3,(H,14,15)
InChIKeySAFLDWGDCVESHR-UHFFFAOYSA-N
XLogP1.63
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
CID 81053101
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
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
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide (CID 54944712) is 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide is CCCN(C)C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide?
The InChIKey is SAFLDWGDCVESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-6-16(2)12(17)11-9-7-8(13)4-5-10(9)14-15-11/h4-5,7H,3,6,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide?
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 54944712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).