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

C19H16F2N4O — CID 121484347

IUPACN-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H16F2N4O/c20-14-7-5-13(6-8-14)15-11-22-25-10-9-24(12-18(15)25)19(26)23-17-4-2-1-3-16(17)21/h1-8,11H,9-10,12H2,(H,23,26)
InChIKeySBXDMJVBRAQBHF-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.88
Rot. Bonds2

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

N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484347) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484347
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H16F2N4O/c20-14-7-5-13(6-8-14)15-11-22-25-10-9-24(12-18(15)25)19(26)23-17-4-2-1-3-16(17)21/h1-8,11H,9-10,12H2,(H,23,26)
InChIKeySBXDMJVBRAQBHF-UHFFFAOYSA-N
XLogP3.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484347) is N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccccc1F)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SBXDMJVBRAQBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-7-5-13(6-8-14)15-11-22-25-10-9-24(12-18(15)25)19(26)23-17-4-2-1-3-16(17)21/h1-8,11H,9-10,12H2,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).