4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole

C18H18N4 — CID 166206233

IUPAC4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
SMILESCc1cccc2c1CCN2Cc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C18H18N4/c1-13-4-2-6-17-16(13)7-9-22(17)12-15-11-20-21-18(15)14-5-3-8-19-10-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21)
InChIKeyBVAFMHFTXFAHJU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.34
Rot. Bonds3

About 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole

4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole (PubChem CID 166206233) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
PubChem CID166206233
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
SMILESCc1cccc2c1CCN2Cc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C18H18N4/c1-13-4-2-6-17-16(13)7-9-22(17)12-15-11-20-21-18(15)14-5-3-8-19-10-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21)
InChIKeyBVAFMHFTXFAHJU-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole (CID 166206233) is 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole is Cc1cccc2c1CCN2Cc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
The InChIKey is BVAFMHFTXFAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-4-2-6-17-16(13)7-9-22(17)12-15-11-20-21-18(15)14-5-3-8-19-10-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21).
What are the key properties of 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole has a molecular weight of 290.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 166206233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).