3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine

C13H14N4 — CID 136995809

IUPAC3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2c[nH]c3ccccc23)n[nH]c1C
InChIInChI=1S/C13H14N4/c1-8-12(14-2)13(17-16-8)10-7-15-11-6-4-3-5-9(10)11/h3-7,14-15H,1-2H3,(H,16,17)
InChIKeyKPUPQOUQKVIKCP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.91
Rot. Bonds2

About 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine

3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 136995809) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
PubChem CID136995809
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2c[nH]c3ccccc23)n[nH]c1C
InChIInChI=1S/C13H14N4/c1-8-12(14-2)13(17-16-8)10-7-15-11-6-4-3-5-9(10)11/h3-7,14-15H,1-2H3,(H,16,17)
InChIKeyKPUPQOUQKVIKCP-UHFFFAOYSA-N
XLogP2.91
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine (CID 136995809) is 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine is CNc1c(-c2c[nH]c3ccccc23)n[nH]c1C.
What is the InChIKey of 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is KPUPQOUQKVIKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-12(14-2)13(17-16-8)10-7-15-11-6-4-3-5-9(10)11/h3-7,14-15H,1-2H3,(H,16,17).
What are the key properties of 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine?
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 226.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 136995809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).