7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H21F2N5O3S — CID 2168939

IUPAC7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H21F2N5O3S/c25-22(26)21-14-20(16-6-2-1-3-7-16)29-23-19(15-27-31(21)23)24(32)28-17-8-10-18(11-9-17)35(33,34)30-12-4-5-13-30/h1-3,6-11,14-15,22H,4-5,12-13H2,(H,28,32)
InChIKeyDNALHVMATHPIEH-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.37
Rot. Bonds6

About 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2168939) has the molecular formula C24H21F2N5O3S and a molecular weight of 497.53 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2168939
Molecular FormulaC24H21F2N5O3S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H21F2N5O3S/c25-22(26)21-14-20(16-6-2-1-3-7-16)29-23-19(15-27-31(21)23)24(32)28-17-8-10-18(11-9-17)35(33,34)30-12-4-5-13-30/h1-3,6-11,14-15,22H,4-5,12-13H2,(H,28,32)
InChIKeyDNALHVMATHPIEH-UHFFFAOYSA-N
XLogP4.37
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2168939) is 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DNALHVMATHPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3S/c25-22(26)21-14-20(16-6-2-1-3-7-16)29-23-19(15-27-31(21)23)24(32)28-17-8-10-18(11-9-17)35(33,34)30-12-4-5-13-30/h1-3,6-11,14-15,22H,4-5,12-13H2,(H,28,32).
What are the key properties of 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2168939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).