[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol

C18H19N3O4 — CID 126724841

IUPAC[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol
SMILESCOc1cc(C)ccc1COc1ccnn1-c1cc(C(O)O)ccn1
InChIInChI=1S/C18H19N3O4/c1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h3-10,18,22-23H,11H2,1-2H3
InChIKeyQQWRBMGRMCTTME-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.15
Rot. Bonds6

About [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol

[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol (PubChem CID 126724841) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol.

Molecular Properties

Compound Name[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol
PubChem CID126724841
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol
SMILESCOc1cc(C)ccc1COc1ccnn1-c1cc(C(O)O)ccn1
InChIInChI=1S/C18H19N3O4/c1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h3-10,18,22-23H,11H2,1-2H3
InChIKeyQQWRBMGRMCTTME-UHFFFAOYSA-N
XLogP2.15
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol?
The IUPAC name of [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol (CID 126724841) is [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol.
What is the SMILES notation for [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol?
The canonical SMILES for [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol is COc1cc(C)ccc1COc1ccnn1-c1cc(C(O)O)ccn1.
What is the InChIKey of [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol?
The InChIKey is QQWRBMGRMCTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h3-10,18,22-23H,11H2,1-2H3.
What are the key properties of [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol?
[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol has a molecular weight of 341.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol is sourced from PubChem (CID 126724841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).