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

C20H14ClF3N4O2 — CID 4301254

IUPAC3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C20H14ClF3N4O2/c21-16-17(19(29)25-9-8-12-5-2-1-3-6-12)27-28-15(20(22,23)24)11-13(26-18(16)28)14-7-4-10-30-14/h1-7,10-11H,8-9H2,(H,25,29)
InChIKeyFNUGVRDDBZFPFN-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.63
Rot. Bonds5

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

3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4301254) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4301254
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC Name3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C20H14ClF3N4O2/c21-16-17(19(29)25-9-8-12-5-2-1-3-6-12)27-28-15(20(22,23)24)11-13(26-18(16)28)14-7-4-10-30-14/h1-7,10-11H,8-9H2,(H,25,29)
InChIKeyFNUGVRDDBZFPFN-UHFFFAOYSA-N
XLogP4.63
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4301254) is 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FNUGVRDDBZFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c21-16-17(19(29)25-9-8-12-5-2-1-3-6-12)27-28-15(20(22,23)24)11-13(26-18(16)28)14-7-4-10-30-14/h1-7,10-11H,8-9H2,(H,25,29).
What are the key properties of 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 434.81 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4301254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).