(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole

C22H17ClN2 — CID 7113051

IUPAC(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole
SMILESClc1ccc(N2N=C(c3ccccc3)[C@@H]3c4ccccc4C[C@@H]32)cc1
InChIInChI=1S/C22H17ClN2/c23-17-10-12-18(13-11-17)25-20-14-16-8-4-5-9-19(16)21(20)22(24-25)15-6-2-1-3-7-15/h1-13,20-21H,14H2/t20-,21+/m0/s1
InChIKeyLSXJVKINGVAUQN-LEWJYISDSA-N
MW344.85 g/mol
LogP5.27
Rot. Bonds2

About (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole

(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole (PubChem CID 7113051) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole.

Molecular Properties

Compound Name(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole
PubChem CID7113051
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole
SMILESClc1ccc(N2N=C(c3ccccc3)[C@@H]3c4ccccc4C[C@@H]32)cc1
InChIInChI=1S/C22H17ClN2/c23-17-10-12-18(13-11-17)25-20-14-16-8-4-5-9-19(16)21(20)22(24-25)15-6-2-1-3-7-15/h1-13,20-21H,14H2/t20-,21+/m0/s1
InChIKeyLSXJVKINGVAUQN-LEWJYISDSA-N
XLogP5.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole with MolForge

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Related Compounds

(3aS,6aR)-1-(4-chlorophenyl)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrazole
CID 95987197
(3aR,6aR)-1-(4-chlorophenyl)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrazole
CID 95987199
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]indol-3-ol
CID 15637036
(3aS,8bS)-1-(4-chlorophenyl)-4-ethyl-3-phenyl-3a,8b-dihydropyrazolo[3,4-b]indole
CID 14661019
(3aS,8bR)-3-(4-chlorophenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
CID 10989315
7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole
CID 11837411
[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol
CID 25011052
2-[3-(2-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732263
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3aS,8bS)-4-ethyl-3-(4-methylphenyl)-1-phenyl-3a,8b-dihydropyrazolo[3,4-b]indole
CID 14661023
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole?
The IUPAC name of (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole (CID 7113051) is (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole.
What is the SMILES notation for (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole?
The canonical SMILES for (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole is Clc1ccc(N2N=C(c3ccccc3)[C@@H]3c4ccccc4C[C@@H]32)cc1.
What is the InChIKey of (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole?
The InChIKey is LSXJVKINGVAUQN-LEWJYISDSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-17-10-12-18(13-11-17)25-20-14-16-8-4-5-9-19(16)21(20)22(24-25)15-6-2-1-3-7-15/h1-13,20-21H,14H2/t20-,21+/m0/s1.
What are the key properties of (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole?
(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole has a molecular weight of 344.85 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole is sourced from PubChem (CID 7113051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).