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

C18H13F3N4O3 — CID 1256595

IUPACN-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)15-6-11(9-1-2-9)23-16-7-12(24-25(15)16)17(26)22-10-3-4-13-14(5-10)28-8-27-13/h3-7,9H,1-2,8H2,(H,22,26)
InChIKeyBKHIOMZMPGWBSS-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.61
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1256595) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1256595
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)15-6-11(9-1-2-9)23-16-7-12(24-25(15)16)17(26)22-10-3-4-13-14(5-10)28-8-27-13/h3-7,9H,1-2,8H2,(H,22,26)
InChIKeyBKHIOMZMPGWBSS-UHFFFAOYSA-N
XLogP3.61
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1256595) is N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BKHIOMZMPGWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c19-18(20,21)15-6-11(9-1-2-9)23-16-7-12(24-25(15)16)17(26)22-10-3-4-13-14(5-10)28-8-27-13/h3-7,9H,1-2,8H2,(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1256595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).