2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C24H23Cl2N3O2 — CID 112838812

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H23Cl2N3O2/c1-15-21(16(2)29(27-15)23-8-5-19(25)13-22(23)26)14-24(31)28-11-9-18(10-12-28)17-3-6-20(30)7-4-17/h3-9,13,30H,10-12,14H2,1-2H3
InChIKeyRIXRLKKMJWVWPK-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.36
Rot. Bonds4

About 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 112838812) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID112838812
Molecular FormulaC24H23Cl2N3O2
Molecular Weight456.37 g/mol
Exact Mass455.12
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H23Cl2N3O2/c1-15-21(16(2)29(27-15)23-8-5-19(25)13-22(23)26)14-24(31)28-11-9-18(10-12-28)17-3-6-20(30)7-4-17/h3-9,13,30H,10-12,14H2,1-2H3
InChIKeyRIXRLKKMJWVWPK-UHFFFAOYSA-N
XLogP5.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 55752716
2-[4-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55791283
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide
CID 112830468
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119205994
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86998087
1-[2-(aminomethyl)piperidin-1-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone;hydrochloride
CID 119469723
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
CID 119390343
N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
CID 119656988
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 55755549
N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 120506491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 112838812) is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is RIXRLKKMJWVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c1-15-21(16(2)29(27-15)23-8-5-19(25)13-22(23)26)14-24(31)28-11-9-18(10-12-28)17-3-6-20(30)7-4-17/h3-9,13,30H,10-12,14H2,1-2H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 456.37 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 112838812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).