6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole

C11H7Cl2N3 — CID 170427328

IUPAC6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole
SMILESClc1ccc2c(-c3cn[nH]c3)c[nH]c2c1Cl
InChIInChI=1S/C11H7Cl2N3/c12-9-2-1-7-8(6-3-15-16-4-6)5-14-11(7)10(9)13/h1-5,14H,(H,15,16)
InChIKeyFJWPLPOEYQHLJA-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.86
Rot. Bonds1

About 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole

6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole (PubChem CID 170427328) has the molecular formula C11H7Cl2N3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole
PubChem CID170427328
Molecular FormulaC11H7Cl2N3
Molecular Weight252.10 g/mol
Exact Mass251.00
IUPAC Name6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole
SMILESClc1ccc2c(-c3cn[nH]c3)c[nH]c2c1Cl
InChIInChI=1S/C11H7Cl2N3/c12-9-2-1-7-8(6-3-15-16-4-6)5-14-11(7)10(9)13/h1-5,14H,(H,15,16)
InChIKeyFJWPLPOEYQHLJA-UHFFFAOYSA-N
XLogP3.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3,6,8-tris(1H-pyrazol-4-yl)pyren-1-yl]-1H-pyrazole
CID 156698831
2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetonitrile
CID 170427503
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol
CID 170427341
6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 18545981
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 170426993
4-chloro-3-(1H-pyrazol-4-yl)benzoic acid
CID 177367869
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol
CID 170427533
[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
CID 170426868
7,8-dichloro-2-(3-heptan-4-ylpyrrolidin-1-yl)-4-(1H-pyrazol-4-yl)quinoline
CID 162750879
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637
6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 170427165

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole?
The IUPAC name of 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole (CID 170427328) is 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole.
What is the SMILES notation for 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole?
The canonical SMILES for 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole is Clc1ccc2c(-c3cn[nH]c3)c[nH]c2c1Cl.
What is the InChIKey of 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole?
The InChIKey is FJWPLPOEYQHLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3/c12-9-2-1-7-8(6-3-15-16-4-6)5-14-11(7)10(9)13/h1-5,14H,(H,15,16).
What are the key properties of 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole?
6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole has a molecular weight of 252.10 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole is sourced from PubChem (CID 170427328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).