5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine

C13H14N4 — CID 115107860

IUPAC5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
SMILESCc1cccc2c1cc(-c1cc(N)n[nH]1)n2C
InChIInChI=1S/C13H14N4/c1-8-4-3-5-11-9(8)6-12(17(11)2)10-7-13(14)16-15-10/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyUZAGCFCCLYYNMA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.46
Rot. Bonds1

About 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine

5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine (PubChem CID 115107860) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
PubChem CID115107860
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
SMILESCc1cccc2c1cc(-c1cc(N)n[nH]1)n2C
InChIInChI=1S/C13H14N4/c1-8-4-3-5-11-9(8)6-12(17(11)2)10-7-13(14)16-15-10/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyUZAGCFCCLYYNMA-UHFFFAOYSA-N
XLogP2.46
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine
CID 82387823
5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
CID 115107730
ethane;1,2,4-trimethylindole
CID 91318944
(1,4-dimethylindol-2-yl)methanol
CID 117120333
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
CID 84743031
2-tert-butyl-1,4-dimethylindole
CID 121356408
5-(7-ethyl-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742218
2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
CID 137016984
5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731
5-(1,2,5,7-tetramethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742208
5-(1,3-dimethylindazol-6-yl)-1H-pyrazol-3-amine
CID 117327047

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine (CID 115107860) is 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine is Cc1cccc2c1cc(-c1cc(N)n[nH]1)n2C.
What is the InChIKey of 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is UZAGCFCCLYYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-4-3-5-11-9(8)6-12(17(11)2)10-7-13(14)16-15-10/h3-7H,1-2H3,(H3,14,15,16).
What are the key properties of 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine?
5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 226.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115107860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).