3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole

C24H21N3O — CID 21240625

IUPAC3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C24H21N3O/c1-28-19-13-11-17(12-14-19)23-15-24(27(26-23)18-7-3-2-4-8-18)21-16-25-22-10-6-5-9-20(21)22/h2-14,16,24-25H,15H2,1H3
InChIKeyCDSRXUATYNTBDK-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.53
Rot. Bonds4

About 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole

3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole (PubChem CID 21240625) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole
PubChem CID21240625
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C24H21N3O/c1-28-19-13-11-17(12-14-19)23-15-24(27(26-23)18-7-3-2-4-8-18)21-16-25-22-10-6-5-9-20(21)22/h2-14,16,24-25H,15H2,1H3
InChIKeyCDSRXUATYNTBDK-UHFFFAOYSA-N
XLogP5.53
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole
CID 3909065
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 101435165
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
6,8-dibromo-2-[3-[3-(1H-indol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxopropyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 11814587
(3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7431710
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole?
The IUPAC name of 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole (CID 21240625) is 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole is COc1ccc(C2=NN(c3ccccc3)C(c3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole?
The InChIKey is CDSRXUATYNTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-28-19-13-11-17(12-14-19)23-15-24(27(26-23)18-7-3-2-4-8-18)21-16-25-22-10-6-5-9-20(21)22/h2-14,16,24-25H,15H2,1H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole?
3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole has a molecular weight of 367.45 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole is sourced from PubChem (CID 21240625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).