3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C14H11FN4O2 — CID 118062035

IUPAC3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESN#Cc1c(-c2cccc(F)c2)nn2c1CN(C(=O)O)CC2
InChIInChI=1S/C14H11FN4O2/c15-10-3-1-2-9(6-10)13-11(7-16)12-8-18(14(20)21)4-5-19(12)17-13/h1-3,6H,4-5,8H2,(H,20,21)
InChIKeyIPDYFAROMILVMW-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.05
Rot. Bonds1

About 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 118062035) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID118062035
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESN#Cc1c(-c2cccc(F)c2)nn2c1CN(C(=O)O)CC2
InChIInChI=1S/C14H11FN4O2/c15-10-3-1-2-9(6-10)13-11(7-16)12-8-18(14(20)21)4-5-19(12)17-13/h1-3,6H,4-5,8H2,(H,20,21)
InChIKeyIPDYFAROMILVMW-UHFFFAOYSA-N
XLogP2.05
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 118062035) is 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is N#Cc1c(-c2cccc(F)c2)nn2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is IPDYFAROMILVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-10-3-1-2-9(6-10)13-11(7-16)12-8-18(14(20)21)4-5-19(12)17-13/h1-3,6H,4-5,8H2,(H,20,21).
What are the key properties of 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 286.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 118062035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).