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

C19H17FN4O2 — CID 170327908

IUPAC2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESCC1c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCN1C(=O)O
InChIInChI=1S/C19H17FN4O2/c1-12-18-16(13-6-8-21-9-7-13)17(14-2-4-15(20)5-3-14)22-24(18)11-10-23(12)19(25)26/h2-9,12H,10-11H2,1H3,(H,25,26)
InChIKeyDGOWZYWDVLKYEW-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.81
Rot. Bonds2

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

2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 170327908) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID170327908
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESCC1c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCN1C(=O)O
InChIInChI=1S/C19H17FN4O2/c1-12-18-16(13-6-8-21-9-7-13)17(14-2-4-15(20)5-3-14)22-24(18)11-10-23(12)19(25)26/h2-9,12H,10-11H2,1H3,(H,25,26)
InChIKeyDGOWZYWDVLKYEW-UHFFFAOYSA-N
XLogP3.81
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 170327908) is 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is CC1c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCN1C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is DGOWZYWDVLKYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-18-16(13-6-8-21-9-7-13)17(14-2-4-15(20)5-3-14)22-24(18)11-10-23(12)19(25)26/h2-9,12H,10-11H2,1H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 170327908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).