2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C19H21ClF2N4O2 — CID 162100467

IUPAC2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CF)(CF)CC(=O)N1CCn2nc(-c3cccc(Cl)c3)c(C(N)=O)c2C1
InChIInChI=1S/C19H21ClF2N4O2/c1-19(10-21,11-22)8-15(27)25-5-6-26-14(9-25)16(18(23)28)17(24-26)12-3-2-4-13(20)7-12/h2-4,7H,5-6,8-11H2,1H3,(H2,23,28)
InChIKeyZEUSODBMGADUIC-UHFFFAOYSA-N
MW410.85 g/mol
LogP2.98
Rot. Bonds6

About 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 162100467) has the molecular formula C19H21ClF2N4O2 and a molecular weight of 410.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID162100467
Molecular FormulaC19H21ClF2N4O2
Molecular Weight410.85 g/mol
Exact Mass410.13
IUPAC Name2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CF)(CF)CC(=O)N1CCn2nc(-c3cccc(Cl)c3)c(C(N)=O)c2C1
InChIInChI=1S/C19H21ClF2N4O2/c1-19(10-21,11-22)8-15(27)25-5-6-26-14(9-25)16(18(23)28)17(24-26)12-3-2-4-13(20)7-12/h2-4,7H,5-6,8-11H2,1H3,(H2,23,28)
InChIKeyZEUSODBMGADUIC-UHFFFAOYSA-N
XLogP2.98
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 162100467) is 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(CF)(CF)CC(=O)N1CCn2nc(-c3cccc(Cl)c3)c(C(N)=O)c2C1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ZEUSODBMGADUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N4O2/c1-19(10-21,11-22)8-15(27)25-5-6-26-14(9-25)16(18(23)28)17(24-26)12-3-2-4-13(20)7-12/h2-4,7H,5-6,8-11H2,1H3,(H2,23,28).
What are the key properties of 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 410.85 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 162100467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).