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

C15H13N3O3 — CID 103124988

IUPAC(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)c2cnn3ccncc23)c1
InChIInChI=1S/C15H13N3O3/c1-20-11-5-10(6-12(7-11)21-2)15(19)13-8-17-18-4-3-16-9-14(13)18/h3-9H,1-2H3
InChIKeyCTVRCLYMXDBIKX-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.98
Rot. Bonds4

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

(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103124988) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103124988
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)c2cnn3ccncc23)c1
InChIInChI=1S/C15H13N3O3/c1-20-11-5-10(6-12(7-11)21-2)15(19)13-8-17-18-4-3-16-9-14(13)18/h3-9H,1-2H3
InChIKeyCTVRCLYMXDBIKX-UHFFFAOYSA-N
XLogP1.98
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116298
(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125295
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate
CID 103513084
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103124988) is (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is COc1cc(OC)cc(C(=O)c2cnn3ccncc23)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is CTVRCLYMXDBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-11-5-10(6-12(7-11)21-2)15(19)13-8-17-18-4-3-16-9-14(13)18/h3-9H,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 283.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103124988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).