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

C21H19ClFN5O3 — CID 118061269

IUPAC4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(C2c3c(C(N)=O)c(-c4cccc(F)c4)nn3CCN2C(N)=O)cc1Cl
InChIInChI=1S/C21H19ClFN5O3/c1-31-15-6-5-12(10-14(15)22)18-19-16(20(24)29)17(11-3-2-4-13(23)9-11)26-28(19)8-7-27(18)21(25)30/h2-6,9-10,18H,7-8H2,1H3,(H2,24,29)(H2,25,30)
InChIKeyJFEUNWYUHWVYTH-UHFFFAOYSA-N
MW443.87 g/mol
LogP2.93
Rot. Bonds4

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

4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061269) has the molecular formula C21H19ClFN5O3 and a molecular weight of 443.87 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061269
Molecular FormulaC21H19ClFN5O3
Molecular Weight443.87 g/mol
Exact Mass443.12
IUPAC Name4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(C2c3c(C(N)=O)c(-c4cccc(F)c4)nn3CCN2C(N)=O)cc1Cl
InChIInChI=1S/C21H19ClFN5O3/c1-31-15-6-5-12(10-14(15)22)18-19-16(20(24)29)17(11-3-2-4-13(23)9-11)26-28(19)8-7-27(18)21(25)30/h2-6,9-10,18H,7-8H2,1H3,(H2,24,29)(H2,25,30)
InChIKeyJFEUNWYUHWVYTH-UHFFFAOYSA-N
XLogP2.93
TPSA116.47 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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061269) is 4-(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 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1ccc(C2c3c(C(N)=O)c(-c4cccc(F)c4)nn3CCN2C(N)=O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is JFEUNWYUHWVYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O3/c1-31-15-6-5-12(10-14(15)22)18-19-16(20(24)29)17(11-3-2-4-13(23)9-11)26-28(19)8-7-27(18)21(25)30/h2-6,9-10,18H,7-8H2,1H3,(H2,24,29)(H2,25,30).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-(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 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).