N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H17F3N4O3S — CID 5241732

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)OCCO5)c3n2)s1
InChIInChI=1S/C22H17F3N4O3S/c1-2-13-4-6-18(33-13)15-10-19(22(23,24)25)29-20(28-15)14(11-26-29)21(30)27-12-3-5-16-17(9-12)32-8-7-31-16/h3-6,9-11H,2,7-8H2,1H3,(H,27,30)
InChIKeyJGFVEKLPFKNWGD-UHFFFAOYSA-N
MW474.46 g/mol
LogP5.06
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5241732) has the molecular formula C22H17F3N4O3S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5241732
Molecular FormulaC22H17F3N4O3S
Molecular Weight474.46 g/mol
Exact Mass474.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)OCCO5)c3n2)s1
InChIInChI=1S/C22H17F3N4O3S/c1-2-13-4-6-18(33-13)15-10-19(22(23,24)25)29-20(28-15)14(11-26-29)21(30)27-12-3-5-16-17(9-12)32-8-7-31-16/h3-6,9-11H,2,7-8H2,1H3,(H,27,30)
InChIKeyJGFVEKLPFKNWGD-UHFFFAOYSA-N
XLogP5.06
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111024
N-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1369870
ethyl 4-[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 17021526
N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3123077
N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793938
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000173
5-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460174
5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821142
methyl 3-chloro-6-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19461964

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5241732) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)OCCO5)c3n2)s1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JGFVEKLPFKNWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3S/c1-2-13-4-6-18(33-13)15-10-19(22(23,24)25)29-20(28-15)14(11-26-29)21(30)27-12-3-5-16-17(9-12)32-8-7-31-16/h3-6,9-11H,2,7-8H2,1H3,(H,27,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5241732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).