N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide

C23H21FN4O — CID 68754762

IUPACN-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide
SMILESCc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)C(C)c3ccccc3)nn2c1
InChIInChI=1S/C23H21FN4O/c1-14-12-25-22-20(18-9-10-19(24)15(2)11-18)21(27-28(22)13-14)26-23(29)16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,26,27,29)
InChIKeyKRJNGSXAGUJXKE-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.89
Rot. Bonds4

About N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide

N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide (PubChem CID 68754762) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide
PubChem CID68754762
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide
SMILESCc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)C(C)c3ccccc3)nn2c1
InChIInChI=1S/C23H21FN4O/c1-14-12-25-22-20(18-9-10-19(24)15(2)11-18)21(27-28(22)13-14)26-23(29)16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,26,27,29)
InChIKeyKRJNGSXAGUJXKE-UHFFFAOYSA-N
XLogP4.89
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide?
The IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide (CID 68754762) is N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide?
The canonical SMILES for N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide is Cc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)C(C)c3ccccc3)nn2c1.
What is the InChIKey of N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide?
The InChIKey is KRJNGSXAGUJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-14-12-25-22-20(18-9-10-19(24)15(2)11-18)21(27-28(22)13-14)26-23(29)16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,26,27,29).
What are the key properties of N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide?
N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide has a molecular weight of 388.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 68754762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).