5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole

C21H21ClN2O2 — CID 73291871

IUPAC5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole
SMILESCOc1ccccc1-n1nc(C2CCOCC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-5-3-2-4-19(21)24-20(16-6-8-17(22)9-7-16)14-18(23-24)15-10-12-26-13-11-15/h2-9,14-15H,10-13H2,1H3
InChIKeyFVDPIHFYLDOQMM-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.10
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole (PubChem CID 73291871) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole
PubChem CID73291871
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole
SMILESCOc1ccccc1-n1nc(C2CCOCC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-5-3-2-4-19(21)24-20(16-6-8-17(22)9-7-16)14-18(23-24)15-10-12-26-13-11-15/h2-9,14-15H,10-13H2,1H3
InChIKeyFVDPIHFYLDOQMM-UHFFFAOYSA-N
XLogP5.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
Cav 2.2 blocker 1
CID 73292924
4-[1-(2-Methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzonitrile
CID 73292925
1-(4-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10000554
3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
CID 14497430
5-(4-Chlorophenyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(2-methoxyphenyl)-1H-pyrazole
CID 73291874
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
5-(4-Ethoxyphenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
CID 73293096
2-Chloro-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]pyridine
CID 73293610
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrazole
CID 73293983
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2S,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 73294550
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 90040082

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole (CID 73291871) is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole is COc1ccccc1-n1nc(C2CCOCC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole?
The InChIKey is FVDPIHFYLDOQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-25-21-5-3-2-4-19(21)24-20(16-6-8-17(22)9-7-16)14-18(23-24)15-10-12-26-13-11-15/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole?
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole has a molecular weight of 368.86 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole is sourced from PubChem (CID 73291871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).