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

C18H15F3N4O3 — CID 653043

IUPACN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1
InChIInChI=1S/C18H15F3N4O3/c1-9(2)11-6-15(18(19,20)21)25-16(23-11)7-12(24-25)17(26)22-10-3-4-13-14(5-10)28-8-27-13/h3-7,9H,8H2,1-2H3,(H,22,26)
InChIKeyOVXCFSICEOEBJW-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.85
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 653043) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID653043
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1
InChIInChI=1S/C18H15F3N4O3/c1-9(2)11-6-15(18(19,20)21)25-16(23-11)7-12(24-25)17(26)22-10-3-4-13-14(5-10)28-8-27-13/h3-7,9H,8H2,1-2H3,(H,22,26)
InChIKeyOVXCFSICEOEBJW-UHFFFAOYSA-N
XLogP3.85
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 659670
N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884658
5-Isopropyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (6-acetyl-benzo[1,3]dioxol-5-yl)-amide
CID 648987
N-1,3-benzodioxol-5-yl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256595
N-(1,3-benzodioxol-5-yl)-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1258402
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2438361
3-(1,3-Benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ylamine
CID 7313813
5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4424817
5-(4-methylphenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038221
7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093889

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 653043) is N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OVXCFSICEOEBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-9(2)11-6-15(18(19,20)21)25-16(23-11)7-12(24-25)17(26)22-10-3-4-13-14(5-10)28-8-27-13/h3-7,9H,8H2,1-2H3,(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.85, 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-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 653043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).