6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione

C19H22N4O6 — CID 135969937

IUPAC6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
SMILESC=CCn1c(O)c(C2=NNC(c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O6/c1-5-6-23-18(25)15(17(24)20-19(23)26)12-9-11(21-22-12)10-7-13(27-2)16(29-4)14(8-10)28-3/h5,7-8,11,21,25H,1,6,9H2,2-4H3,(H,20,24,26)
InChIKeyARIIFUSPSSZICB-UHFFFAOYSA-N
MW402.41 g/mol
LogP0.89
Rot. Bonds7

About 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione

6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione (PubChem CID 135969937) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
PubChem CID135969937
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC Name6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
SMILESC=CCn1c(O)c(C2=NNC(c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O6/c1-5-6-23-18(25)15(17(24)20-19(23)26)12-9-11(21-22-12)10-7-13(27-2)16(29-4)14(8-10)28-3/h5,7-8,11,21,25H,1,6,9H2,2-4H3,(H,20,24,26)
InChIKeyARIIFUSPSSZICB-UHFFFAOYSA-N
XLogP0.89
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione (CID 135969937) is 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione is C=CCn1c(O)c(C2=NNC(c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?
The InChIKey is ARIIFUSPSSZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6/c1-5-6-23-18(25)15(17(24)20-19(23)26)12-9-11(21-22-12)10-7-13(27-2)16(29-4)14(8-10)28-3/h5,7-8,11,21,25H,1,6,9H2,2-4H3,(H,20,24,26).
What are the key properties of 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?
6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione has a molecular weight of 402.41 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-prop-2-enyl-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 135969937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).