4-(1H-indol-4-yl)-1-methylpyrazol-5-amine

C12H12N4 — CID 117303081

IUPAC4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3[nH]ccc23)c1N
InChIInChI=1S/C12H12N4/c1-16-12(13)10(7-15-16)8-3-2-4-11-9(8)5-6-14-11/h2-7,14H,13H2,1H3
InChIKeySRUXROCODKWJEP-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.15
Rot. Bonds1

About 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine

4-(1H-indol-4-yl)-1-methylpyrazol-5-amine (PubChem CID 117303081) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
PubChem CID117303081
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3[nH]ccc23)c1N
InChIInChI=1S/C12H12N4/c1-16-12(13)10(7-15-16)8-3-2-4-11-9(8)5-6-14-11/h2-7,14H,13H2,1H3
InChIKeySRUXROCODKWJEP-UHFFFAOYSA-N
XLogP2.15
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine (CID 117303081) is 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc3[nH]ccc23)c1N.
What is the InChIKey of 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine?
The InChIKey is SRUXROCODKWJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-16-12(13)10(7-15-16)8-3-2-4-11-9(8)5-6-14-11/h2-7,14H,13H2,1H3.
What are the key properties of 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine?
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine has a molecular weight of 212.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117303081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).