5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one

C19H14N2O3 — CID 164524568

IUPAC5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one
SMILESCn1cc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cn1
InChIInChI=1S/C19H14N2O3/c1-21-11-14(10-20-21)13-7-15(22)19-16(23)9-17(24-18(19)8-13)12-5-3-2-4-6-12/h2-11,22H,1H3
InChIKeyDPWPPJOSDASRJK-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.57
Rot. Bonds2

About 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one

5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one (PubChem CID 164524568) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one
PubChem CID164524568
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one
SMILESCn1cc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cn1
InChIInChI=1S/C19H14N2O3/c1-21-11-14(10-20-21)13-7-15(22)19-16(23)9-17(24-18(19)8-13)12-5-3-2-4-6-12/h2-11,22H,1H3
InChIKeyDPWPPJOSDASRJK-UHFFFAOYSA-N
XLogP3.57
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one (CID 164524568) is 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one is Cn1cc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cn1.
What is the InChIKey of 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one?
The InChIKey is DPWPPJOSDASRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-21-11-14(10-20-21)13-7-15(22)19-16(23)9-17(24-18(19)8-13)12-5-3-2-4-6-12/h2-11,22H,1H3.
What are the key properties of 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one?
5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one has a molecular weight of 318.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 164524568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).