[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol

C16H15N3O2 — CID 3554291

IUPAC[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(CO)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-15-6-4-14(5-7-15)19-10-13(11-20)16(18-19)12-3-2-8-17-9-12/h2-10,20H,11H2,1H3
InChIKeyJEYQXVXQTHCSCZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.44
Rot. Bonds4

About [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol

[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol (PubChem CID 3554291) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
PubChem CID3554291
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(CO)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-15-6-4-14(5-7-15)19-10-13(11-20)16(18-19)12-3-2-8-17-9-12/h2-10,20H,11H2,1H3
InChIKeyJEYQXVXQTHCSCZ-UHFFFAOYSA-N
XLogP2.44
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol (CID 3554291) is [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol is COc1ccc(-n2cc(CO)c(-c3cccnc3)n2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
The InChIKey is JEYQXVXQTHCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-6-4-14(5-7-15)19-10-13(11-20)16(18-19)12-3-2-8-17-9-12/h2-10,20H,11H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol has a molecular weight of 281.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 3554291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).