5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

C19H22N2O5 — CID 11164203

IUPAC5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
SMILESCOc1ccc(C2NN=C(c3cc(OC)c(OC)c(OC)c3)C2O)cc1
InChIInChI=1S/C19H22N2O5/c1-23-13-7-5-11(6-8-13)16-18(22)17(21-20-16)12-9-14(24-2)19(26-4)15(10-12)25-3/h5-10,16,18,20,22H,1-4H3
InChIKeyKECQJHWYDSLEDP-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.13
Rot. Bonds6

About 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol (PubChem CID 11164203) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
PubChem CID11164203
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
SMILESCOc1ccc(C2NN=C(c3cc(OC)c(OC)c(OC)c3)C2O)cc1
InChIInChI=1S/C19H22N2O5/c1-23-13-7-5-11(6-8-13)16-18(22)17(21-20-16)12-9-14(24-2)19(26-4)15(10-12)25-3/h5-10,16,18,20,22H,1-4H3
InChIKeyKECQJHWYDSLEDP-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The IUPAC name of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol (CID 11164203) is 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol is COc1ccc(C2NN=C(c3cc(OC)c(OC)c(OC)c3)C2O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The InChIKey is KECQJHWYDSLEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-13-7-5-11(6-8-13)16-18(22)17(21-20-16)12-9-14(24-2)19(26-4)15(10-12)25-3/h5-10,16,18,20,22H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol has a molecular weight of 358.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol is sourced from PubChem (CID 11164203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).