2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

C19H22N2O5 — CID 23661691

IUPAC2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1O
InChIInChI=1S/C19H22N2O5/c1-23-16-6-5-11(7-15(16)22)13-10-14(21-20-13)12-8-17(24-2)19(26-4)18(9-12)25-3/h5-9,13,20,22H,10H2,1-4H3
InChIKeyQKLBZUPEFOPJFB-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.87
Rot. Bonds6

About 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 23661691) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID23661691
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1O
InChIInChI=1S/C19H22N2O5/c1-23-16-6-5-11(7-15(16)22)13-10-14(21-20-13)12-8-17(24-2)19(26-4)18(9-12)25-3/h5-9,13,20,22H,10H2,1-4H3
InChIKeyQKLBZUPEFOPJFB-UHFFFAOYSA-N
XLogP2.87
TPSA81.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Colchinol
CID 164612
4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol
CID 15354441
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
Methyl 5-(3-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733361
3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162651570
2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162669905
3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162675570
2-[5-(2,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136239521
1-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136254470
3-[1-Amino-3-(3,4,5-trimethoxyphenyl)propyl]phenol
CID 234428
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 11164203
1-(3-(3-hydroxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 16331335

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 23661691) is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is COc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is QKLBZUPEFOPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-16-6-5-11(7-15(16)22)13-10-14(21-20-13)12-8-17(24-2)19(26-4)18(9-12)25-3/h5-9,13,20,22H,10H2,1-4H3.
What are the key properties of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 358.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 23661691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).