[2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol

C19H21N3O3 — CID 155199541

IUPAC[2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol
SMILESCCc1ccc(COc2ccnn2-c2cc(C(O)OC)ccn2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-14-4-6-15(7-5-14)13-25-18-9-11-21-22(18)17-12-16(8-10-20-17)19(23)24-2/h4-12,19,23H,3,13H2,1-2H3
InChIKeyNAXCBQQEBXOPEK-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.05
Rot. Bonds7

About [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol

[2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol (PubChem CID 155199541) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol.

Molecular Properties

Compound Name[2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol
PubChem CID155199541
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol
SMILESCCc1ccc(COc2ccnn2-c2cc(C(O)OC)ccn2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-14-4-6-15(7-5-14)13-25-18-9-11-21-22(18)17-12-16(8-10-20-17)19(23)24-2/h4-12,19,23H,3,13H2,1-2H3
InChIKeyNAXCBQQEBXOPEK-UHFFFAOYSA-N
XLogP3.05
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol?
The IUPAC name of [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol (CID 155199541) is [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol.
What is the SMILES notation for [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol?
The canonical SMILES for [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol is CCc1ccc(COc2ccnn2-c2cc(C(O)OC)ccn2)cc1.
What is the InChIKey of [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol?
The InChIKey is NAXCBQQEBXOPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-14-4-6-15(7-5-14)13-25-18-9-11-21-22(18)17-12-16(8-10-20-17)19(23)24-2/h4-12,19,23H,3,13H2,1-2H3.
What are the key properties of [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol?
[2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol has a molecular weight of 339.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]-methoxymethanol is sourced from PubChem (CID 155199541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).