5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H20F4N4O2 — CID 19440969

IUPAC5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H20F4N4O2/c1-14(5-10-17-4-3-11-33-17)30(2)22(32)19-13-21-28-18(15-6-8-16(24)9-7-15)12-20(23(25,26)27)31(21)29-19/h3-4,6-9,11-14H,5,10H2,1-2H3
InChIKeyDOLXSLQOCZEXGD-UHFFFAOYSA-N
MW460.43 g/mol
LogP5.24
Rot. Bonds6

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

5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440969) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440969
Molecular FormulaC23H20F4N4O2
Molecular Weight460.43 g/mol
Exact Mass460.15
IUPAC Name5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H20F4N4O2/c1-14(5-10-17-4-3-11-33-17)30(2)22(32)19-13-21-28-18(15-6-8-16(24)9-7-15)12-20(23(25,26)27)31(21)29-19/h3-4,6-9,11-14H,5,10H2,1-2H3
InChIKeyDOLXSLQOCZEXGD-UHFFFAOYSA-N
XLogP5.24
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440969) is 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DOLXSLQOCZEXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c1-14(5-10-17-4-3-11-33-17)30(2)22(32)19-13-21-28-18(15-6-8-16(24)9-7-15)12-20(23(25,26)27)31(21)29-19/h3-4,6-9,11-14H,5,10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).