5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole

C17H14N4 — CID 54582675

IUPAC5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole
SMILESCn1cc(-c2ccc3[nH]ccc3c2)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N4/c1-21-11-15(17(20-21)12-4-7-18-8-5-12)13-2-3-16-14(10-13)6-9-19-16/h2-11,19H,1H3
InChIKeyUKDVQBRZBAYNAD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds2

About 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole

5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole (PubChem CID 54582675) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole
PubChem CID54582675
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole
SMILESCn1cc(-c2ccc3[nH]ccc3c2)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N4/c1-21-11-15(17(20-21)12-4-7-18-8-5-12)13-2-3-16-14(10-13)6-9-19-16/h2-11,19H,1H3
InChIKeyUKDVQBRZBAYNAD-UHFFFAOYSA-N
XLogP3.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole?
The IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole (CID 54582675) is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole.
What is the SMILES notation for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole?
The canonical SMILES for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole is Cn1cc(-c2ccc3[nH]ccc3c2)c(-c2ccncc2)n1.
What is the InChIKey of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole?
The InChIKey is UKDVQBRZBAYNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-11-15(17(20-21)12-4-7-18-8-5-12)13-2-3-16-14(10-13)6-9-19-16/h2-11,19H,1H3.
What are the key properties of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole?
5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole has a molecular weight of 274.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indole is sourced from PubChem (CID 54582675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).