3-(3-phenylpyrazol-1-yl)-1H-indole

C17H13N3 — CID 177256581

IUPAC3-(3-phenylpyrazol-1-yl)-1H-indole
SMILESc1ccc(-c2ccn(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H13N3/c1-2-6-13(7-3-1)15-10-11-20(19-15)17-12-18-16-9-5-4-8-14(16)17/h1-12,18H
InChIKeyNMTQSFGMSHGGJU-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.02
Rot. Bonds2

About 3-(3-phenylpyrazol-1-yl)-1H-indole

3-(3-phenylpyrazol-1-yl)-1H-indole (PubChem CID 177256581) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-phenylpyrazol-1-yl)-1H-indole.

Molecular Properties

Compound Name3-(3-phenylpyrazol-1-yl)-1H-indole
PubChem CID177256581
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-(3-phenylpyrazol-1-yl)-1H-indole
SMILESc1ccc(-c2ccn(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H13N3/c1-2-6-13(7-3-1)15-10-11-20(19-15)17-12-18-16-9-5-4-8-14(16)17/h1-12,18H
InChIKeyNMTQSFGMSHGGJU-UHFFFAOYSA-N
XLogP4.02
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-phenylpyrazol-3-yl)-1H-indole
CID 135907657
2-(3-phenylpyrazol-1-yl)-1H-benzimidazole
CID 66014145
methane;3-phenyl-1H-indole
CID 167711687
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
3-(3,5-dimethylpyrazol-1-yl)-1H-indole
CID 3573300
2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
CID 66743644
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
CID 101073728
3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrazol-1-yl)-1H-indole?
The IUPAC name of 3-(3-phenylpyrazol-1-yl)-1H-indole (CID 177256581) is 3-(3-phenylpyrazol-1-yl)-1H-indole.
What is the SMILES notation for 3-(3-phenylpyrazol-1-yl)-1H-indole?
The canonical SMILES for 3-(3-phenylpyrazol-1-yl)-1H-indole is c1ccc(-c2ccn(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 3-(3-phenylpyrazol-1-yl)-1H-indole?
The InChIKey is NMTQSFGMSHGGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-2-6-13(7-3-1)15-10-11-20(19-15)17-12-18-16-9-5-4-8-14(16)17/h1-12,18H.
What are the key properties of 3-(3-phenylpyrazol-1-yl)-1H-indole?
3-(3-phenylpyrazol-1-yl)-1H-indole has a molecular weight of 259.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrazol-1-yl)-1H-indole is sourced from PubChem (CID 177256581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).