(2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

C19H13N3O2S — CID 2814858

IUPAC(2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESO=C(c1cccnc1Oc1ccccc1)n1ccc(-c2cccs2)n1
InChIInChI=1S/C19H13N3O2S/c23-19(22-12-10-16(21-22)17-9-5-13-25-17)15-8-4-11-20-18(15)24-14-6-2-1-3-7-14/h1-13H
InChIKeyVUAQHEOKNMMGFZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.49
Rot. Bonds4

About (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

(2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2814858) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2814858
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name(2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESO=C(c1cccnc1Oc1ccccc1)n1ccc(-c2cccs2)n1
InChIInChI=1S/C19H13N3O2S/c23-19(22-12-10-16(21-22)17-9-5-13-25-17)15-8-4-11-20-18(15)24-14-6-2-1-3-7-14/h1-13H
InChIKeyVUAQHEOKNMMGFZ-UHFFFAOYSA-N
XLogP4.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 18734933
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CID 16470555
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CID 53165182
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CID 2814859
CID 2814859
CID 2814860
CID 2814860
CID 18586773
CID 18586773
CID 76313308
CID 76313308
CID 11294940
CID 11294940
CID 18734935
CID 18734935
CID 22612075
CID 22612075
CID 22612181
CID 22612181
CID 50916873
CID 50916873

Frequently Asked Questions

What is the IUPAC name of (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2814858) is (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is O=C(c1cccnc1Oc1ccccc1)n1ccc(-c2cccs2)n1.
What is the InChIKey of (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is VUAQHEOKNMMGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-19(22-12-10-16(21-22)17-9-5-13-25-17)15-8-4-11-20-18(15)24-14-6-2-1-3-7-14/h1-13H.
What are the key properties of (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
(2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 347.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2814858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).