4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C22H20N2O3 — CID 155511973

IUPAC4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-23-24-21)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H,23,24)
InChIKeyGJCOKEWGMZOMLO-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.92
Rot. Bonds5

About 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 155511973) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID155511973
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-23-24-21)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H,23,24)
InChIKeyGJCOKEWGMZOMLO-UHFFFAOYSA-N
XLogP4.92
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435682
5-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435695
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 155521750
2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-4-ethyl-5-methoxyphenol
CID 1285275
10,11,12,17-Tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene
CID 10360654
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11209992
(6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-ylidene]-3-methoxycyclohexa-2,4-dien-1-one
CID 657457

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 155511973) is 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1cc(-c2[nH]ncc2-c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is GJCOKEWGMZOMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-23-24-21)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H,23,24).
What are the key properties of 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 360.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 155511973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).