2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine

C19H22N4O2 — CID 53333719

IUPAC2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1OC
InChIInChI=1S/C19H22N4O2/c1-24-17-7-6-14(12-18(17)25-2)15-13-16-19(20-8-11-23(16)21-15)22-9-4-3-5-10-22/h6-8,11-13H,3-5,9-10H2,1-2H3
InChIKeyPCYIUMWGTMYDMM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine

2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine (PubChem CID 53333719) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
PubChem CID53333719
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1OC
InChIInChI=1S/C19H22N4O2/c1-24-17-7-6-14(12-18(17)25-2)15-13-16-19(20-8-11-23(16)21-15)22-9-4-3-5-10-22/h6-8,11-13H,3-5,9-10H2,1-2H3
InChIKeyPCYIUMWGTMYDMM-UHFFFAOYSA-N
XLogP3.40
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine (CID 53333719) is 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine is COc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is PCYIUMWGTMYDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-17-7-6-14(12-18(17)25-2)15-13-16-19(20-8-11-23(16)21-15)22-9-4-3-5-10-22/h6-8,11-13H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine?
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 338.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).