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

C21H19ClFN5O3 — CID 118071230

IUPAC5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1Cl
InChIInChI=1S/C21H19ClFN5O3/c1-31-17-6-5-14(10-15(17)22)25-21(30)27-7-8-28-16(11-27)18(20(24)29)19(26-28)12-3-2-4-13(23)9-12/h2-6,9-10H,7-8,11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyBZHYPUVEKQZEKS-UHFFFAOYSA-N
MW443.87 g/mol
LogP3.50
Rot. Bonds4

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

5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071230) has the molecular formula C21H19ClFN5O3 and a molecular weight of 443.87 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071230
Molecular FormulaC21H19ClFN5O3
Molecular Weight443.87 g/mol
Exact Mass443.12
IUPAC Name5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1Cl
InChIInChI=1S/C21H19ClFN5O3/c1-31-17-6-5-14(10-15(17)22)25-21(30)27-7-8-28-16(11-27)18(20(24)29)19(26-28)12-3-2-4-13(23)9-12/h2-6,9-10H,7-8,11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyBZHYPUVEKQZEKS-UHFFFAOYSA-N
XLogP3.50
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.87
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-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 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071230) is 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1Cl.
What is the InChIKey of 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is BZHYPUVEKQZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O3/c1-31-17-6-5-14(10-15(17)22)25-21(30)27-7-8-28-16(11-27)18(20(24)29)19(26-28)12-3-2-4-13(23)9-12/h2-6,9-10H,7-8,11H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 443.87 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).