3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole

C22H16Cl2N2O — CID 4575566

IUPAC3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
SMILESCOc1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O/c1-27-22-5-3-2-4-20(22)26-21(16-8-12-18(24)13-9-16)14-19(25-26)15-6-10-17(23)11-7-15/h2-14H,1H3
InChIKeyBRYGNFBDCJTTMP-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.52
Rot. Bonds4

About 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole

3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole (PubChem CID 4575566) has the molecular formula C22H16Cl2N2O and a molecular weight of 395.29 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
PubChem CID4575566
Molecular FormulaC22H16Cl2N2O
Molecular Weight395.29 g/mol
Exact Mass394.06
IUPAC Name3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
SMILESCOc1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O/c1-27-22-5-3-2-4-20(22)26-21(16-8-12-18(24)13-9-16)14-19(25-26)15-6-10-17(23)11-7-15/h2-14H,1H3
InChIKeyBRYGNFBDCJTTMP-UHFFFAOYSA-N
XLogP6.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
CID 141141752
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-(trifluoromethylsulfonyl)piperidine
CID 70687990
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 102357682
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249
[[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]amino] 2,2,2-trifluoroacetate
CID 90199369

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole (CID 4575566) is 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole is COc1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole?
The InChIKey is BRYGNFBDCJTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O/c1-27-22-5-3-2-4-20(22)26-21(16-8-12-18(24)13-9-16)14-19(25-26)15-6-10-17(23)11-7-15/h2-14H,1H3.
What are the key properties of 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole?
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole has a molecular weight of 395.29 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole is sourced from PubChem (CID 4575566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).