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

C18H10ClF3N4O2 — CID 3448888

IUPACN-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C18H10ClF3N4O2/c19-10-3-1-4-11(7-10)24-17(27)12-9-23-26-15(18(20,21)22)8-13(25-16(12)26)14-5-2-6-28-14/h1-9H,(H,24,27)
InChIKeyRXAQGGPRIREHJK-UHFFFAOYSA-N
MW406.75 g/mol
LogP4.91
Rot. Bonds3

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

N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3448888) has the molecular formula C18H10ClF3N4O2 and a molecular weight of 406.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3448888
Molecular FormulaC18H10ClF3N4O2
Molecular Weight406.75 g/mol
Exact Mass406.04
IUPAC NameN-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C18H10ClF3N4O2/c19-10-3-1-4-11(7-10)24-17(27)12-9-23-26-15(18(20,21)22)8-13(25-16(12)26)14-5-2-6-28-14/h1-9H,(H,24,27)
InChIKeyRXAQGGPRIREHJK-UHFFFAOYSA-N
XLogP4.91
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.75
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3448888) is N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RXAQGGPRIREHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4O2/c19-10-3-1-4-11(7-10)24-17(27)12-9-23-26-15(18(20,21)22)8-13(25-16(12)26)14-5-2-6-28-14/h1-9H,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.75 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3448888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).