N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H12F3N5O — CID 19451336

IUPACN-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H12F3N5O/c19-18(20,21)15-7-14(10-5-6-10)24-16-12(9-23-26(15)16)17(27)25-13-4-2-1-3-11(13)8-22/h1-4,7,9-10H,5-6H2,(H,25,27)
InChIKeyUCADWUXJRWGBME-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.75
Rot. Bonds3

About N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19451336) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19451336
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC NameN-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H12F3N5O/c19-18(20,21)15-7-14(10-5-6-10)24-16-12(9-23-26(15)16)17(27)25-13-4-2-1-3-11(13)8-22/h1-4,7,9-10H,5-6H2,(H,25,27)
InChIKeyUCADWUXJRWGBME-UHFFFAOYSA-N
XLogP3.75
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451398
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768932
5-cyclopropyl-N-(4-ethoxy-2-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449664
5-cyclopropyl-N-(2,6-dibromo-4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449596
5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451371
5-cyclopropyl-N-[1-(methoxymethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451430
5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451346
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451361
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451385
5-cyclopropyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451295
5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768985
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19451336) is N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12.
What is the InChIKey of N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UCADWUXJRWGBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c19-18(20,21)15-7-14(10-5-6-10)24-16-12(9-23-26(15)16)17(27)25-13-4-2-1-3-11(13)8-22/h1-4,7,9-10H,5-6H2,(H,25,27).
What are the key properties of N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19451336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).