[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate

C24H18F5N5O4S — CID 69288143

IUPAC[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)Oc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C24H18F5N5O4S/c25-21(26)19-11-18(13-4-6-14(7-5-13)24(27,28)29)32-22-20(12-30-34(19)22)38-23(35)31-16-2-1-3-17(10-16)39(36,37)33-15-8-9-15/h1-7,10-12,15,21,33H,8-9H2,(H,31,35)
InChIKeyLGXMBEBIXYWFQF-UHFFFAOYSA-N
MW567.50 g/mol
LogP5.40
Rot. Bonds7

About [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate

[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate (PubChem CID 69288143) has the molecular formula C24H18F5N5O4S and a molecular weight of 567.50 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate
PubChem CID69288143
Molecular FormulaC24H18F5N5O4S
Molecular Weight567.50 g/mol
Exact Mass567.10
IUPAC Name[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)Oc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C24H18F5N5O4S/c25-21(26)19-11-18(13-4-6-14(7-5-13)24(27,28)29)32-22-20(12-30-34(19)22)38-23(35)31-16-2-1-3-17(10-16)39(36,37)33-15-8-9-15/h1-7,10-12,15,21,33H,8-9H2,(H,31,35)
InChIKeyLGXMBEBIXYWFQF-UHFFFAOYSA-N
XLogP5.40
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-morpholin-4-ylsulfonylphenyl)carbamate
CID 69289397
[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-methylsulfonylphenyl)carbamate
CID 87767637
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073
3-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 11852828
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 69293088
[5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate
CID 87768470
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11504440
5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11656447
N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11997906
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58866198

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate?
The IUPAC name of [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate (CID 69288143) is [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate?
The canonical SMILES for [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)Oc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate?
The InChIKey is LGXMBEBIXYWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N5O4S/c25-21(26)19-11-18(13-4-6-14(7-5-13)24(27,28)29)32-22-20(12-30-34(19)22)38-23(35)31-16-2-1-3-17(10-16)39(36,37)33-15-8-9-15/h1-7,10-12,15,21,33H,8-9H2,(H,31,35).
What are the key properties of [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate?
[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate has a molecular weight of 567.50 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 69288143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).