7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H19F3N4O3S — CID 11540592

IUPAC7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
InChIInChI=1S/C24H19F3N4O3S/c1-35(33,34)18-4-2-3-17(11-18)29-23(32)19-13-28-31-21(15-5-6-15)12-20(30-22(19)31)14-7-9-16(10-8-14)24(25,26)27/h2-4,7-13,15H,5-6H2,1H3,(H,29,32)
InChIKeyAVRMEPYMPWNMOV-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.95
Rot. Bonds5

About 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11540592) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11540592
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC Name7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
InChIInChI=1S/C24H19F3N4O3S/c1-35(33,34)18-4-2-3-17(11-18)29-23(32)19-13-28-31-21(15-5-6-15)12-20(30-22(19)31)14-7-9-16(10-8-14)24(25,26)27/h2-4,7-13,15H,5-6H2,1H3,(H,29,32)
InChIKeyAVRMEPYMPWNMOV-UHFFFAOYSA-N
XLogP4.95
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11540592) is 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1.
What is the InChIKey of 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AVRMEPYMPWNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-35(33,34)18-4-2-3-17(11-18)29-23(32)19-13-28-31-21(15-5-6-15)12-20(30-22(19)31)14-7-9-16(10-8-14)24(25,26)27/h2-4,7-13,15H,5-6H2,1H3,(H,29,32).
What are the key properties of 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 500.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(3-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11540592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).