(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C19H15FN4O2 — CID 135902628

IUPAC(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2F)n2nc(-c3ccccc3)cc2N1
InChIInChI=1S/C19H15FN4O2/c20-13-8-4-5-9-14(13)21-19(26)16-11-18(25)22-17-10-15(23-24(16)17)12-6-2-1-3-7-12/h1-10,16H,11H2,(H,21,26)(H,22,25)/t16-/m0/s1
InChIKeyXTHQDFVGRGOHRH-INIZCTEOSA-N
MW350.35 g/mol
LogP3.21
Rot. Bonds3

About (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902628) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135902628
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2F)n2nc(-c3ccccc3)cc2N1
InChIInChI=1S/C19H15FN4O2/c20-13-8-4-5-9-14(13)21-19(26)16-11-18(25)22-17-10-15(23-24(16)17)12-6-2-1-3-7-12/h1-10,16H,11H2,(H,21,26)(H,22,25)/t16-/m0/s1
InChIKeyXTHQDFVGRGOHRH-INIZCTEOSA-N
XLogP3.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940932
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830412
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633533
(7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901713
2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654723
(7R)-N-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902400
(7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901648
(7S)-2-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902554
N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 135658700
(7S)-N-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901618
(7R)-N-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901959
2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655490

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902628) is (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@@H](C(=O)Nc2ccccc2F)n2nc(-c3ccccc3)cc2N1.
What is the InChIKey of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is XTHQDFVGRGOHRH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-13-8-4-5-9-14(13)21-19(26)16-11-18(25)22-17-10-15(23-24(16)17)12-6-2-1-3-7-12/h1-10,16H,11H2,(H,21,26)(H,22,25)/t16-/m0/s1.
What are the key properties of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).