1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole

C15H10ClN3 — CID 136862213

IUPAC1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole
SMILESClc1ccc(-n2ncc3[nH]c4ccccc4c32)cc1
InChIInChI=1S/C15H10ClN3/c16-10-5-7-11(8-6-10)19-15-12-3-1-2-4-13(12)18-14(15)9-17-19/h1-9,18H
InChIKeyOOQAJGWRVYTKOO-UHFFFAOYSA-N
MW267.72 g/mol
LogP4.16
Rot. Bonds1

About 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole

1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole (PubChem CID 136862213) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole
PubChem CID136862213
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole
SMILESClc1ccc(-n2ncc3[nH]c4ccccc4c32)cc1
InChIInChI=1S/C15H10ClN3/c16-10-5-7-11(8-6-10)19-15-12-3-1-2-4-13(12)18-14(15)9-17-19/h1-9,18H
InChIKeyOOQAJGWRVYTKOO-UHFFFAOYSA-N
XLogP4.16
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazin-3-one
CID 139690413
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
9H-carbazole
CID 66668984
4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
CID 45258430
5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
CID 20686663
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
1-(4-chlorophenyl)-N-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 5092933
1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
CID 876853
6-benzylsulfanyl-1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135526681
3-chloro-9H-pyrido[2,3-b]indole
CID 158959947
1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
CID 15365439

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole?
The IUPAC name of 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole (CID 136862213) is 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole?
The canonical SMILES for 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole is Clc1ccc(-n2ncc3[nH]c4ccccc4c32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole?
The InChIKey is OOQAJGWRVYTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c16-10-5-7-11(8-6-10)19-15-12-3-1-2-4-13(12)18-14(15)9-17-19/h1-9,18H.
What are the key properties of 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole?
1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole has a molecular weight of 267.72 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 136862213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).