[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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Related Compounds

ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 144641810
2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725627
2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725603
2-[5-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725633
2-[5-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
3-methoxy-4-[(4-methylphenoxy)methyl]phenol
CID 117219725
2-(2-methoxy-5-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755036
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725569
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
CID 78934350
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
methyl 2-[5-[(3-fluorocyclohexa-1,3-dien-1-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 155486294

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).