(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C16H15N3O2 — CID 103125295

IUPAC(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCCCOc1ccccc1C(=O)c1cnn2ccncc12
InChIInChI=1S/C16H15N3O2/c1-2-9-21-15-6-4-3-5-12(15)16(20)13-10-18-19-8-7-17-11-14(13)19/h3-8,10-11H,2,9H2,1H3
InChIKeyLXHVYTZFXJYTAG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.75
Rot. Bonds5

About (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103125295) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103125295
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCCCOc1ccccc1C(=O)c1cnn2ccncc12
InChIInChI=1S/C16H15N3O2/c1-2-9-21-15-6-4-3-5-12(15)16(20)13-10-18-19-8-7-17-11-14(13)19/h3-8,10-11H,2,9H2,1H3
InChIKeyLXHVYTZFXJYTAG-UHFFFAOYSA-N
XLogP2.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125523
(4-ethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124418
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
CID 105128629
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439
(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124988
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103125295) is (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is CCCOc1ccccc1C(=O)c1cnn2ccncc12.
What is the InChIKey of (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is LXHVYTZFXJYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-9-21-15-6-4-3-5-12(15)16(20)13-10-18-19-8-7-17-11-14(13)19/h3-8,10-11H,2,9H2,1H3.
What are the key properties of (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 281.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103125295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).