5-(1-methylindol-2-yl)-1H-pyrazol-4-amine

C12H12N4 — CID 115109269

IUPAC5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
SMILESCn1c(-c2[nH]ncc2N)cc2ccccc21
InChIInChI=1S/C12H12N4/c1-16-10-5-3-2-4-8(10)6-11(16)12-9(13)7-14-15-12/h2-7H,13H2,1H3,(H,14,15)
InChIKeyCBWRLTAVMORKDL-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.15
Rot. Bonds1

About 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine

5-(1-methylindol-2-yl)-1H-pyrazol-4-amine (PubChem CID 115109269) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
PubChem CID115109269
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
SMILESCn1c(-c2[nH]ncc2N)cc2ccccc21
InChIInChI=1S/C12H12N4/c1-16-10-5-3-2-4-8(10)6-11(16)12-9(13)7-14-15-12/h2-7H,13H2,1H3,(H,14,15)
InChIKeyCBWRLTAVMORKDL-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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine (CID 115109269) is 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine is Cn1c(-c2[nH]ncc2N)cc2ccccc21.
What is the InChIKey of 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine?
The InChIKey is CBWRLTAVMORKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-16-10-5-3-2-4-8(10)6-11(16)12-9(13)7-14-15-12/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine?
5-(1-methylindol-2-yl)-1H-pyrazol-4-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 5-(1-methylindol-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 115109269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).