5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19F3N4O5 — CID 2980925

IUPAC5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(O)c1cc2c(cc1NC(=O)c1cnn3c1NC(c1ccco1)CC3C(F)(F)F)OCO2
InChIInChI=1S/C21H19F3N4O5/c1-10(29)11-5-16-17(33-9-32-16)6-13(11)27-20(30)12-8-25-28-18(21(22,23)24)7-14(26-19(12)28)15-3-2-4-31-15/h2-6,8,10,14,18,26,29H,7,9H2,1H3,(H,27,30)
InChIKeyPUIFCMSZCUVAIO-UHFFFAOYSA-N
MW464.40 g/mol
LogP4.17
Rot. Bonds4

About 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2980925) has the molecular formula C21H19F3N4O5 and a molecular weight of 464.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2980925
Molecular FormulaC21H19F3N4O5
Molecular Weight464.40 g/mol
Exact Mass464.13
IUPAC Name5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(O)c1cc2c(cc1NC(=O)c1cnn3c1NC(c1ccco1)CC3C(F)(F)F)OCO2
InChIInChI=1S/C21H19F3N4O5/c1-10(29)11-5-16-17(33-9-32-16)6-13(11)27-20(30)12-8-25-28-18(21(22,23)24)7-14(26-19(12)28)15-3-2-4-31-15/h2-6,8,10,14,18,26,29H,7,9H2,1H3,(H,27,30)
InChIKeyPUIFCMSZCUVAIO-UHFFFAOYSA-N
XLogP4.17
TPSA110.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2980925) is 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(O)c1cc2c(cc1NC(=O)c1cnn3c1NC(c1ccco1)CC3C(F)(F)F)OCO2.
What is the InChIKey of 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PUIFCMSZCUVAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O5/c1-10(29)11-5-16-17(33-9-32-16)6-13(11)27-20(30)12-8-25-28-18(21(22,23)24)7-14(26-19(12)28)15-3-2-4-31-15/h2-6,8,10,14,18,26,29H,7,9H2,1H3,(H,27,30).
What are the key properties of 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2980925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).