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

C19H20N2O5 — CID 134155998

IUPAC2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H20N2O5/c1-23-15-6-5-11(7-14(15)22)18-13(10-20-21-18)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10,22H,1-4H3,(H,20,21)
InChIKeyVKSAFWMGHLRPKU-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.48
Rot. Bonds6

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

2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 134155998) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID134155998
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H20N2O5/c1-23-15-6-5-11(7-14(15)22)18-13(10-20-21-18)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10,22H,1-4H3,(H,20,21)
InChIKeyVKSAFWMGHLRPKU-UHFFFAOYSA-N
XLogP3.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 134155998) is 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2[nH]ncc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is VKSAFWMGHLRPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-23-15-6-5-11(7-14(15)22)18-13(10-20-21-18)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10,22H,1-4H3,(H,20,21).
What are the key properties of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 356.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 134155998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).