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

C18H18FN7O2 — CID 118069201

IUPAC2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCn1nccc1NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1
InChIInChI=1S/C18H18FN7O2/c1-24-14(5-6-21-24)22-18(28)25-7-8-26-13(10-25)15(17(20)27)16(23-26)11-3-2-4-12(19)9-11/h2-6,9H,7-8,10H2,1H3,(H2,20,27)(H,22,28)
InChIKeyJKQFGITVITVIAS-UHFFFAOYSA-N
MW383.39 g/mol
LogP1.57
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069201) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069201
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCn1nccc1NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1
InChIInChI=1S/C18H18FN7O2/c1-24-14(5-6-21-24)22-18(28)25-7-8-26-13(10-25)15(17(20)27)16(23-26)11-3-2-4-12(19)9-11/h2-6,9H,7-8,10H2,1H3,(H2,20,27)(H,22,28)
InChIKeyJKQFGITVITVIAS-UHFFFAOYSA-N
XLogP1.57
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069201) is 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cn1nccc1NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is JKQFGITVITVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-24-14(5-6-21-24)22-18(28)25-7-8-26-13(10-25)15(17(20)27)16(23-26)11-3-2-4-12(19)9-11/h2-6,9H,7-8,10H2,1H3,(H2,20,27)(H,22,28).
What are the key properties of 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 383.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).