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

C12H14N4 — CID 117305701

IUPAC5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine
SMILESCN1CCc2c(-c3cc(N)n[nH]3)cccc21
InChIInChI=1S/C12H14N4/c1-16-6-5-9-8(3-2-4-11(9)16)10-7-12(13)15-14-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15)
InChIKeyXOPXLMNPOGXNLV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.65
Rot. Bonds1

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

5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine (PubChem CID 117305701) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine
PubChem CID117305701
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine
SMILESCN1CCc2c(-c3cc(N)n[nH]3)cccc21
InChIInChI=1S/C12H14N4/c1-16-6-5-9-8(3-2-4-11(9)16)10-7-12(13)15-14-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15)
InChIKeyXOPXLMNPOGXNLV-UHFFFAOYSA-N
XLogP1.65
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine (CID 117305701) is 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine is CN1CCc2c(-c3cc(N)n[nH]3)cccc21.
What is the InChIKey of 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine?
The InChIKey is XOPXLMNPOGXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-16-6-5-9-8(3-2-4-11(9)16)10-7-12(13)15-14-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15).
What are the key properties of 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine?
5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine has a molecular weight of 214.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117305701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).