3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole

C24H22N2O2 — CID 135065096

IUPAC3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccccc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-26-24(19-7-5-4-6-8-19)22(17-9-13-20(27-2)14-10-17)23(25-26)18-11-15-21(28-3)16-12-18/h4-16H,1-3H3
InChIKeyIDLGCAKLSXDUPA-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.44
Rot. Bonds5

About 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole

3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole (PubChem CID 135065096) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
PubChem CID135065096
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccccc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-26-24(19-7-5-4-6-8-19)22(17-9-13-20(27-2)14-10-17)23(25-26)18-11-15-21(28-3)16-12-18/h4-16H,1-3H3
InChIKeyIDLGCAKLSXDUPA-UHFFFAOYSA-N
XLogP5.44
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
2-Isopropyl-3-(4-methoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11358099
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
(2S,3S)-N-[[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10621261
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
(1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)methanol
CID 16187569
(1,4-dioxan-2-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190228
1,2-dimethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190324
1-(2-methoxyethyl)-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190632

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole (CID 135065096) is 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole is COc1ccc(-c2nn(C)c(-c3ccccc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The InChIKey is IDLGCAKLSXDUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-26-24(19-7-5-4-6-8-19)22(17-9-13-20(27-2)14-10-17)23(25-26)18-11-15-21(28-3)16-12-18/h4-16H,1-3H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole has a molecular weight of 370.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-1-methyl-5-phenylpyrazole is sourced from PubChem (CID 135065096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).