3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H19FN4O — CID 121484486

IUPAC3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cc(-c2cnn3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F
InChIInChI=1S/C20H19FN4O/c1-14-11-15(7-8-18(14)21)17-12-22-25-10-9-24(13-19(17)25)20(26)23-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,23,26)
InChIKeyHWJNFALNWDQFLB-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.05
Rot. Bonds2

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

3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484486) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484486
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cc(-c2cnn3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F
InChIInChI=1S/C20H19FN4O/c1-14-11-15(7-8-18(14)21)17-12-22-25-10-9-24(13-19(17)25)20(26)23-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,23,26)
InChIKeyHWJNFALNWDQFLB-UHFFFAOYSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484486) is 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1cc(-c2cnn3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is HWJNFALNWDQFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-11-15(7-8-18(14)21)17-12-22-25-10-9-24(13-19(17)25)20(26)23-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,23,26).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).