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

C16H15N3S — CID 75401554

IUPAC1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
SMILESc1csc(-c2[nH]ncc2CN2CCc3ccccc32)c1
InChIInChI=1S/C16H15N3S/c1-2-5-14-12(4-1)7-8-19(14)11-13-10-17-18-16(13)15-6-3-9-20-15/h1-6,9-10H,7-8,11H2,(H,17,18)
InChIKeyIPZRISQIEVOQNT-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.70
Rot. Bonds3

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

1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole (PubChem CID 75401554) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
PubChem CID75401554
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
SMILESc1csc(-c2[nH]ncc2CN2CCc3ccccc32)c1
InChIInChI=1S/C16H15N3S/c1-2-5-14-12(4-1)7-8-19(14)11-13-10-17-18-16(13)15-6-3-9-20-15/h1-6,9-10H,7-8,11H2,(H,17,18)
InChIKeyIPZRISQIEVOQNT-UHFFFAOYSA-N
XLogP3.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole (CID 75401554) is 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole is c1csc(-c2[nH]ncc2CN2CCc3ccccc32)c1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
The InChIKey is IPZRISQIEVOQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-5-14-12(4-1)7-8-19(14)11-13-10-17-18-16(13)15-6-3-9-20-15/h1-6,9-10H,7-8,11H2,(H,17,18).
What are the key properties of 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole?
1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole has a molecular weight of 281.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 75401554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).