5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

C16H14Cl2N2O — CID 4738355

IUPAC5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-12-5-2-10(3-6-12)15-9-16(20-19-15)13-7-4-11(17)8-14(13)18/h2-8,16,20H,9H2,1H3
InChIKeyQQCBEKDTUMQYQE-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.44
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 4738355) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID4738355
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-12-5-2-10(3-6-12)15-9-16(20-19-15)13-7-4-11(17)8-14(13)18/h2-8,16,20H,9H2,1H3
InChIKeyQQCBEKDTUMQYQE-UHFFFAOYSA-N
XLogP4.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2R,6S)-2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 92698073
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319
2-[2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-methoxyphenol
CID 20970321
4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 945002
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
2-[(2R,6R)-2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
CID 92698153
5-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 67765708
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363
4-chloro-2-[(2R,6R)-2-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 92697920
4-chloro-2-[(2S,6S)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485508
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 4103570

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 4738355) is 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is COc1ccc(C2=NNC(c3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is QQCBEKDTUMQYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-21-12-5-2-10(3-6-12)15-9-16(20-19-15)13-7-4-11(17)8-14(13)18/h2-8,16,20H,9H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 321.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 4738355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).