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

C21H21ClN2O3 — CID 73296550

IUPAC5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole
SMILESCOc1ccccc1-n1nc(OC2CCOCC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)27-17-10-12-26-13-11-17/h2-9,14,17H,10-13H2,1H3
InChIKeyNOCIOWGNSBLDHC-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.76
Rot. Bonds5

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

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole (PubChem CID 73296550) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole
PubChem CID73296550
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole
SMILESCOc1ccccc1-n1nc(OC2CCOCC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)27-17-10-12-26-13-11-17/h2-9,14,17H,10-13H2,1H3
InChIKeyNOCIOWGNSBLDHC-UHFFFAOYSA-N
XLogP4.76
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
Cav 2.2 blocker 1
CID 73292924
4-[2-[1-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 11604103
3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
CID 14497430
1-[2-[2-(2-Chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(oxan-4-yl)phenyl]urea
CID 44448974
1-(4-Chlorophenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
CID 44449077
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 73291871
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole (CID 73296550) is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole is COc1ccccc1-n1nc(OC2CCOCC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole?
The InChIKey is NOCIOWGNSBLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)27-17-10-12-26-13-11-17/h2-9,14,17H,10-13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole?
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole has a molecular weight of 384.86 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole is sourced from PubChem (CID 73296550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).