6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole

C21H20ClN3 — CID 56682303

IUPAC6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESClc1ccc(C2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1
InChIInChI=1S/C21H20ClN3/c22-15-8-5-13(6-9-15)20-12-21(25-24-20)14-7-10-19-17(11-14)16-3-1-2-4-18(16)23-19/h5-11,20,23-24H,1-4,12H2
InChIKeyCBJMFRKVUQRZMQ-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.14
Rot. Bonds2

About 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole

6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 56682303) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID56682303
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESClc1ccc(C2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1
InChIInChI=1S/C21H20ClN3/c22-15-8-5-13(6-9-15)20-12-21(25-24-20)14-7-10-19-17(11-14)16-3-1-2-4-18(16)23-19/h5-11,20,23-24H,1-4,12H2
InChIKeyCBJMFRKVUQRZMQ-UHFFFAOYSA-N
XLogP5.14
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-1H-indole
CID 220463
2-chloro-9H-carbazole
CID 2752388
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
1-benzhydryl-6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168280315
(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1355755
(1R)-6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1355759
2-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]propanedinitrile
CID 2740199
6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 3114928
6-chloro-1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4312383
5-chloro-6-(1H-indol-2-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11500993
5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline
CID 11688929
{2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-ethyl}-ethyl-methyl-amine
CID 44324056

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole (CID 56682303) is 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole is Clc1ccc(C2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1.
What is the InChIKey of 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is CBJMFRKVUQRZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3/c22-15-8-5-13(6-9-15)20-12-21(25-24-20)14-7-10-19-17(11-14)16-3-1-2-4-18(16)23-19/h5-11,20,23-24H,1-4,12H2.
What are the key properties of 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole?
6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 349.87 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 56682303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).