5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine

C13H14N4 — CID 136995821

IUPAC5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(-c2c[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C13H14N4/c1-14-13-7-12(17(2)16-13)10-8-15-11-6-4-3-5-9(10)11/h3-8,15H,1-2H3,(H,14,16)
InChIKeyHKQXVMITRHKMNV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.61
Rot. Bonds2

About 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine

5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine (PubChem CID 136995821) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
PubChem CID136995821
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(-c2c[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C13H14N4/c1-14-13-7-12(17(2)16-13)10-8-15-11-6-4-3-5-9(10)11/h3-8,15H,1-2H3,(H,14,16)
InChIKeyHKQXVMITRHKMNV-UHFFFAOYSA-N
XLogP2.61
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-5-(5-methylfuran-2-yl)pyrazol-3-amine
CID 116827492
3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
CID 137108562
3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985875
3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]-1H-indole;hydrochloride
CID 163988747
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
3-methyl-1H-indole;N-methylmethanamine
CID 68994741

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine?
The IUPAC name of 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine (CID 136995821) is 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine is CNc1cc(-c2c[nH]c3ccccc23)n(C)n1.
What is the InChIKey of 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine?
The InChIKey is HKQXVMITRHKMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-14-13-7-12(17(2)16-13)10-8-15-11-6-4-3-5-9(10)11/h3-8,15H,1-2H3,(H,14,16).
What are the key properties of 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine?
5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine has a molecular weight of 226.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 136995821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).