[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C24H19N3O — CID 137279262

IUPAC[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2c[nH]c3ccccc23)CC1c1ccccc1
InChIInChI=1S/C24H19N3O/c28-24(18-11-5-2-6-12-18)27-23(17-9-3-1-4-10-17)15-22(26-27)20-16-25-21-14-8-7-13-19(20)21/h1-14,16,23,25H,15H2
InChIKeyUTJOXAZSWDSNGF-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.16
Rot. Bonds3

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

[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 137279262) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID137279262
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2c[nH]c3ccccc23)CC1c1ccccc1
InChIInChI=1S/C24H19N3O/c28-24(18-11-5-2-6-12-18)27-23(17-9-3-1-4-10-17)15-22(26-27)20-16-25-21-14-8-7-13-19(20)21/h1-14,16,23,25H,15H2
InChIKeyUTJOXAZSWDSNGF-UHFFFAOYSA-N
XLogP5.16
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(4-bromophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1399287
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine
CID 135511909
[2-[(3S)-2-benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl]-4-chlorophenyl] benzoate
CID 41064878
1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 53317051
[2-[2-benzoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
CID 3253484
(2-chlorophenyl)-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 136790920
N-[4-[(3R)-2-benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 1264721
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 97080916
[(3R)-3-(4-bromophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 136822559

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 137279262) is [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2c[nH]c3ccccc23)CC1c1ccccc1.
What is the InChIKey of [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is UTJOXAZSWDSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c28-24(18-11-5-2-6-12-18)27-23(17-9-3-1-4-10-17)15-22(26-27)20-16-25-21-14-8-7-13-19(20)21/h1-14,16,23,25H,15H2.
What are the key properties of [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 365.44 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 137279262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).