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

C20H24FN5O2 — CID 91758754

IUPAC5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C20H24FN5O2/c21-14-6-4-5-13(11-14)18-17(19(22)27)16-12-25(9-10-26(16)24-18)20(28)23-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H2,22,27)(H,23,28)
InChIKeyHREAFSUWLMFHHI-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.65
Rot. Bonds3

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

5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 91758754) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID91758754
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C20H24FN5O2/c21-14-6-4-5-13(11-14)18-17(19(22)27)16-12-25(9-10-26(16)24-18)20(28)23-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H2,22,27)(H,23,28)
InChIKeyHREAFSUWLMFHHI-UHFFFAOYSA-N
XLogP2.65
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 91758754) is 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCCCC1)CC2.
What is the InChIKey of 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is HREAFSUWLMFHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-14-6-4-5-13(11-14)18-17(19(22)27)16-12-25(9-10-26(16)24-18)20(28)23-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H2,22,27)(H,23,28).
What are the key properties of 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 91758754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).