2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C21H20FN5O3 — CID 118061285

IUPAC2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)c1
InChIInChI=1S/C21H20FN5O3/c1-30-16-7-3-6-15(11-16)24-21(29)26-8-9-27-17(12-26)18(20(23)28)19(25-27)13-4-2-5-14(22)10-13/h2-7,10-11H,8-9,12H2,1H3,(H2,23,28)(H,24,29)
InChIKeySJTCBKSPEKBRNJ-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.84
Rot. Bonds4

About 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061285) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061285
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)c1
InChIInChI=1S/C21H20FN5O3/c1-30-16-7-3-6-15(11-16)24-21(29)26-8-9-27-17(12-26)18(20(23)28)19(25-27)13-4-2-5-14(22)10-13/h2-7,10-11H,8-9,12H2,1H3,(H2,23,28)(H,24,29)
InChIKeySJTCBKSPEKBRNJ-UHFFFAOYSA-N
XLogP2.84
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061285) is 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1cccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is SJTCBKSPEKBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-30-16-7-3-6-15(11-16)24-21(29)26-8-9-27-17(12-26)18(20(23)28)19(25-27)13-4-2-5-14(22)10-13/h2-7,10-11H,8-9,12H2,1H3,(H2,23,28)(H,24,29).
What are the key properties of 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 409.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).