(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole

C23H20Cl2N2O2 — CID 26723226

IUPAC(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-28-18-8-3-15(4-9-18)22-14-23(16-5-10-19(29-2)11-6-16)27(26-22)17-7-12-20(24)21(25)13-17/h3-13,23H,14H2,1-2H3/t23-/m0/s1
InChIKeyXFZZZWVPJYLRSW-QHCPKHFHSA-N
MW427.33 g/mol
LogP6.37
Rot. Bonds5

About (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole

(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 26723226) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID26723226
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-28-18-8-3-15(4-9-18)22-14-23(16-5-10-19(29-2)11-6-16)27(26-22)17-7-12-20(24)21(25)13-17/h3-13,23H,14H2,1-2H3/t23-/m0/s1
InChIKeyXFZZZWVPJYLRSW-QHCPKHFHSA-N
XLogP6.37
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 24807745

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole (CID 26723226) is (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is XFZZZWVPJYLRSW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-28-18-8-3-15(4-9-18)22-14-23(16-5-10-19(29-2)11-6-16)27(26-22)17-7-12-20(24)21(25)13-17/h3-13,23H,14H2,1-2H3/t23-/m0/s1.
What are the key properties of (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole?
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 427.33 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 26723226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).