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

C18H20FN5O2 — CID 118062921

IUPAC2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C18H20FN5O2/c1-18(5-6-18)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-3-2-4-12(19)9-11/h2-4,9H,5-8,10H2,1H3,(H2,20,25)(H,21,26)
InChIKeyMYAIGIAOCUVGKY-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.87
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062921) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062921
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C18H20FN5O2/c1-18(5-6-18)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-3-2-4-12(19)9-11/h2-4,9H,5-8,10H2,1H3,(H2,20,25)(H,21,26)
InChIKeyMYAIGIAOCUVGKY-UHFFFAOYSA-N
XLogP1.87
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062921) is 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC1(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MYAIGIAOCUVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-18(5-6-18)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-3-2-4-12(19)9-11/h2-4,9H,5-8,10H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(1-methylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).