5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine

C12H14N4 — CID 176983699

IUPAC5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
SMILESCn1cc(-c2ccc3c(c2)CCN3N)cn1
InChIInChI=1S/C12H14N4/c1-15-8-11(7-14-15)9-2-3-12-10(6-9)4-5-16(12)13/h2-3,6-8H,4-5,13H2,1H3
InChIKeyLIPNHWZRVBKCSY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.32
Rot. Bonds1

About 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine

5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine (PubChem CID 176983699) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
PubChem CID176983699
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
SMILESCn1cc(-c2ccc3c(c2)CCN3N)cn1
InChIInChI=1S/C12H14N4/c1-15-8-11(7-14-15)9-2-3-12-10(6-9)4-5-16(12)13/h2-3,6-8H,4-5,13H2,1H3
InChIKeyLIPNHWZRVBKCSY-UHFFFAOYSA-N
XLogP1.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine (CID 176983699) is 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine is Cn1cc(-c2ccc3c(c2)CCN3N)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine?
The InChIKey is LIPNHWZRVBKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-8-11(7-14-15)9-2-3-12-10(6-9)4-5-16(12)13/h2-3,6-8H,4-5,13H2,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine?
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine has a molecular weight of 214.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine is sourced from PubChem (CID 176983699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).