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

C14H20N4OS — CID 115985170

IUPAC5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H20N4OS/c1-4-10(8-20-3)18(2)14(19)13-11-7-9(15)5-6-12(11)16-17-13/h5-7,10H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyLVHJNXGJWXLFSA-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.36
Rot. Bonds5

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

5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide (PubChem CID 115985170) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide
PubChem CID115985170
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H20N4OS/c1-4-10(8-20-3)18(2)14(19)13-11-7-9(15)5-6-12(11)16-17-13/h5-7,10H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyLVHJNXGJWXLFSA-UHFFFAOYSA-N
XLogP2.36
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
CID 81053101
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
5-amino-N-(2-hydroxyethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 54944396
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide (CID 115985170) is 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide is CCC(CSC)N(C)C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is LVHJNXGJWXLFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-10(8-20-3)18(2)14(19)13-11-7-9(15)5-6-12(11)16-17-13/h5-7,10H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide?
5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 115985170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).