3-(4-chloro-1H-pyrazol-5-yl)-1H-indole

C11H8ClN3 — CID 145022790

IUPAC3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
SMILESClc1cn[nH]c1-c1c[nH]c2ccccc12
InChIInChI=1S/C11H8ClN3/c12-9-6-14-15-11(9)8-5-13-10-4-2-1-3-7(8)10/h1-6,13H,(H,14,15)
InChIKeyARNWEOOGDZGNKZ-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.21
Rot. Bonds1

About 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole

3-(4-chloro-1H-pyrazol-5-yl)-1H-indole (PubChem CID 145022790) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
PubChem CID145022790
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
SMILESClc1cn[nH]c1-c1c[nH]c2ccccc12
InChIInChI=1S/C11H8ClN3/c12-9-6-14-15-11(9)8-5-13-10-4-2-1-3-7(8)10/h1-6,13H,(H,14,15)
InChIKeyARNWEOOGDZGNKZ-UHFFFAOYSA-N
XLogP3.21
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361
methane;3-phenyl-1H-indole
CID 167711687
3-(4-phenyl-1H-imidazol-5-yl)-1H-indole
CID 141454791
3-pyridin-4-yl-1H-indole
CID 159430533
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
CID 122439577
4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
CID 87800834
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
CID 116879571
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
2-(1H-indol-3-yl)aniline
CID 25210227

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole?
The IUPAC name of 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole (CID 145022790) is 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole.
What is the SMILES notation for 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole?
The canonical SMILES for 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole is Clc1cn[nH]c1-c1c[nH]c2ccccc12.
What is the InChIKey of 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole?
The InChIKey is ARNWEOOGDZGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-9-6-14-15-11(9)8-5-13-10-4-2-1-3-7(8)10/h1-6,13H,(H,14,15).
What are the key properties of 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole?
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole has a molecular weight of 217.66 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-pyrazol-5-yl)-1H-indole is sourced from PubChem (CID 145022790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).