7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H23FN6O — CID 92626549

IUPAC7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C22H23FN6O/c1-13(11-18-14(2)26-28(4)15(18)3)25-22(30)19-12-21-24-10-9-20(29(21)27-19)16-5-7-17(23)8-6-16/h5-10,12-13H,11H2,1-4H3,(H,25,30)/t13-/m0/s1
InChIKeyGRYVYAJVGVXFFX-ZDUSSCGKSA-N
MW406.47 g/mol
LogP3.25
Rot. Bonds5

About 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 92626549) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID92626549
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C22H23FN6O/c1-13(11-18-14(2)26-28(4)15(18)3)25-22(30)19-12-21-24-10-9-20(29(21)27-19)16-5-7-17(23)8-6-16/h5-10,12-13H,11H2,1-4H3,(H,25,30)/t13-/m0/s1
InChIKeyGRYVYAJVGVXFFX-ZDUSSCGKSA-N
XLogP3.25
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974575
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 92626543
6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
CID 46975769
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
N-(2,5-difluorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5243772
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
7-(4-fluorophenyl)-N-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4865193
2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 98139431
2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 46977200
6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
CID 46974849
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 92626549) is 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GRYVYAJVGVXFFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13(11-18-14(2)26-28(4)15(18)3)25-22(30)19-12-21-24-10-9-20(29(21)27-19)16-5-7-17(23)8-6-16/h5-10,12-13H,11H2,1-4H3,(H,25,30)/t13-/m0/s1.
What are the key properties of 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 92626549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).