7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H17F3N6O — CID 2168928

IUPAC7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H17F3N6O/c25-17-8-6-15(7-9-17)13-32-14-18(11-28-32)30-24(34)19-12-29-33-21(22(26)27)10-20(31-23(19)33)16-4-2-1-3-5-16/h1-12,14,22H,13H2,(H,30,34)
InChIKeyXUGXXWWPSTYHED-UHFFFAOYSA-N
MW462.44 g/mol
LogP4.97
Rot. Bonds6

About 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2168928) has the molecular formula C24H17F3N6O and a molecular weight of 462.44 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2168928
Molecular FormulaC24H17F3N6O
Molecular Weight462.44 g/mol
Exact Mass462.14
IUPAC Name7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H17F3N6O/c25-17-8-6-15(7-9-17)13-32-14-18(11-28-32)30-24(34)19-12-29-33-21(22(26)27)10-20(31-23(19)33)16-4-2-1-3-5-16/h1-12,14,22H,13H2,(H,30,34)
InChIKeyXUGXXWWPSTYHED-UHFFFAOYSA-N
XLogP4.97
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2168928) is 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XUGXXWWPSTYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O/c25-17-8-6-15(7-9-17)13-32-14-18(11-28-32)30-24(34)19-12-29-33-21(22(26)27)10-20(31-23(19)33)16-4-2-1-3-5-16/h1-12,14,22H,13H2,(H,30,34).
What are the key properties of 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.44 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2168928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).