4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C19H20N2O3 — CID 155515345

IUPAC4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3/c1-12-5-7-13(8-6-12)15-11-20-21-18(15)14-9-16(22-2)19(24-4)17(10-14)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyNTTWQIMDROKJML-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.08
Rot. Bonds5

About 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 155515345) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID155515345
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3/c1-12-5-7-13(8-6-12)15-11-20-21-18(15)14-9-16(22-2)19(24-4)17(10-14)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyNTTWQIMDROKJML-UHFFFAOYSA-N
XLogP4.08
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

XN-0502
CID 46183322
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
Tubulin inhibitor 1
CID 137319628
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
2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
CID 2001082
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 53329390
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
CID 945537
5-Ethoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764775

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 155515345) is 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1cc(-c2[nH]ncc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is NTTWQIMDROKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-5-7-13(8-6-12)15-11-20-21-18(15)14-9-16(22-2)19(24-4)17(10-14)23-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 324.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 155515345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).