1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

C25H22BrN3O — CID 23885010

IUPAC1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCn1c2ccccc2c2cc(C3CC(c4ccc(Br)cc4)=NN3C(C)=O)ccc21
InChIInChI=1S/C25H22BrN3O/c1-3-28-23-7-5-4-6-20(23)21-14-18(10-13-24(21)28)25-15-22(27-29(25)16(2)30)17-8-11-19(26)12-9-17/h4-14,25H,3,15H2,1-2H3
InChIKeyKWCQMSPIUDSCSR-UHFFFAOYSA-N
MW460.38 g/mol
LogP6.27
Rot. Bonds3

About 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 23885010) has the molecular formula C25H22BrN3O and a molecular weight of 460.38 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID23885010
Molecular FormulaC25H22BrN3O
Molecular Weight460.38 g/mol
Exact Mass459.09
IUPAC Name1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCn1c2ccccc2c2cc(C3CC(c4ccc(Br)cc4)=NN3C(C)=O)ccc21
InChIInChI=1S/C25H22BrN3O/c1-3-28-23-7-5-4-6-20(23)21-14-18(10-13-24(21)28)25-15-22(27-29(25)16(2)30)17-8-11-19(26)12-9-17/h4-14,25H,3,15H2,1-2H3
InChIKeyKWCQMSPIUDSCSR-UHFFFAOYSA-N
XLogP6.27
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-bromophenyl)-3-(1-methylindol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3649891
1-[(3S)-5-(4-bromophenyl)-3-(2-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 96534001
1-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 1211650
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
1-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 41070766
1-[(3S)-5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 901843
1-[(3R)-3-(1-methylindol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 949213
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
5-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 7058524
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
1-[3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 91095022
4-[(3R)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 6982601

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 23885010) is 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone is CCn1c2ccccc2c2cc(C3CC(c4ccc(Br)cc4)=NN3C(C)=O)ccc21.
What is the InChIKey of 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is KWCQMSPIUDSCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O/c1-3-28-23-7-5-4-6-20(23)21-14-18(10-13-24(21)28)25-15-22(27-29(25)16(2)30)17-8-11-19(26)12-9-17/h4-14,25H,3,15H2,1-2H3.
What are the key properties of 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 460.38 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-3-(9-ethylcarbazol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 23885010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).