N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H10F3N5O2 — CID 3380480

IUPACN-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1
InChIInChI=1S/C19H10F3N5O2/c20-19(21,22)16-8-14(15-2-1-7-29-15)26-17-13(10-24-27(16)17)18(28)25-12-5-3-11(9-23)4-6-12/h1-8,10H,(H,25,28)
InChIKeyRPXDBBOOBAHVFZ-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.13
Rot. Bonds3

About N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3380480) has the molecular formula C19H10F3N5O2 and a molecular weight of 397.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3380480
Molecular FormulaC19H10F3N5O2
Molecular Weight397.32 g/mol
Exact Mass397.08
IUPAC NameN-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1
InChIInChI=1S/C19H10F3N5O2/c20-19(21,22)16-8-14(15-2-1-7-29-15)26-17-13(10-24-27(16)17)18(28)25-12-5-3-11(9-23)4-6-12/h1-8,10H,(H,25,28)
InChIKeyRPXDBBOOBAHVFZ-UHFFFAOYSA-N
XLogP4.13
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3380480) is N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RPXDBBOOBAHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N5O2/c20-19(21,22)16-8-14(15-2-1-7-29-15)26-17-13(10-24-27(16)17)18(28)25-12-5-3-11(9-23)4-6-12/h1-8,10H,(H,25,28).
What are the key properties of N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3380480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).