N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23F2N5O — CID 4153912

IUPACN-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C24H23F2N5O/c1-3-30(4-2)18-12-10-17(11-13-18)28-24(32)19-15-27-31-21(22(25)26)14-20(29-23(19)31)16-8-6-5-7-9-16/h5-15,22H,3-4H2,1-2H3,(H,28,32)
InChIKeyVAIMHZOOSLDCFI-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.43
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4153912) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4153912
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C24H23F2N5O/c1-3-30(4-2)18-12-10-17(11-13-18)28-24(32)19-15-27-31-21(22(25)26)14-20(29-23(19)31)16-8-6-5-7-9-16/h5-15,22H,3-4H2,1-2H3,(H,28,32)
InChIKeyVAIMHZOOSLDCFI-UHFFFAOYSA-N
XLogP5.43
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4153912) is N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VAIMHZOOSLDCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-3-30(4-2)18-12-10-17(11-13-18)28-24(32)19-15-27-31-21(22(25)26)14-20(29-23(19)31)16-8-6-5-7-9-16/h5-15,22H,3-4H2,1-2H3,(H,28,32).
What are the key properties of N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4153912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).