2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde

C25H24FN5O — CID 46507295

IUPAC2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESCCc1ccc(-c2nn3ccnc(N4CCN(c5ccccc5F)CC4)c3c2C=O)cc1
InChIInChI=1S/C25H24FN5O/c1-2-18-7-9-19(10-8-18)23-20(17-32)24-25(27-11-12-31(24)28-23)30-15-13-29(14-16-30)22-6-4-3-5-21(22)26/h3-12,17H,2,13-16H2,1H3
InChIKeyDUXGBOUUXHABBZ-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde

2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde (PubChem CID 46507295) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde
PubChem CID46507295
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESCCc1ccc(-c2nn3ccnc(N4CCN(c5ccccc5F)CC4)c3c2C=O)cc1
InChIInChI=1S/C25H24FN5O/c1-2-18-7-9-19(10-8-18)23-20(17-32)24-25(27-11-12-31(24)28-23)30-15-13-29(14-16-30)22-6-4-3-5-21(22)26/h3-12,17H,2,13-16H2,1H3
InChIKeyDUXGBOUUXHABBZ-UHFFFAOYSA-N
XLogP4.24
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The IUPAC name of 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde (CID 46507295) is 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde is CCc1ccc(-c2nn3ccnc(N4CCN(c5ccccc5F)CC4)c3c2C=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The InChIKey is DUXGBOUUXHABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-2-18-7-9-19(10-8-18)23-20(17-32)24-25(27-11-12-31(24)28-23)30-15-13-29(14-16-30)22-6-4-3-5-21(22)26/h3-12,17H,2,13-16H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde has a molecular weight of 429.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 46507295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).