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

C19H19F3N4O2 — CID 5081806

IUPAC5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C19H19F3N4O2/c1-11-5-2-3-6-13(11)25-18(27)12-10-23-26-16(19(20,21)22)9-14(24-17(12)26)15-7-4-8-28-15/h4,7-11,13H,2-3,5-6H2,1H3,(H,25,27)
InChIKeyRTIAFZXLFUAJOH-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.32
Rot. Bonds3

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

5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5081806) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5081806
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C19H19F3N4O2/c1-11-5-2-3-6-13(11)25-18(27)12-10-23-26-16(19(20,21)22)9-14(24-17(12)26)15-7-4-8-28-15/h4,7-11,13H,2-3,5-6H2,1H3,(H,25,27)
InChIKeyRTIAFZXLFUAJOH-UHFFFAOYSA-N
XLogP4.32
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5081806) is 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCCCC1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RTIAFZXLFUAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-5-2-3-6-13(11)25-18(27)12-10-23-26-16(19(20,21)22)9-14(24-17(12)26)15-7-4-8-28-15/h4,7-11,13H,2-3,5-6H2,1H3,(H,25,27).
What are the key properties of 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5081806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).