5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F3N4O2S — CID 17023713

IUPAC5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)s1
InChIInChI=1S/C19H19F3N4O2S/c1-2-12-5-6-15(29-12)14-8-16(19(20,21)22)26-17(25-14)13(10-24-26)18(27)23-9-11-4-3-7-28-11/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,23,27)
InChIKeyDPMXMSRUPAURNF-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.95
Rot. Bonds5

About 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 17023713) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID17023713
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)s1
InChIInChI=1S/C19H19F3N4O2S/c1-2-12-5-6-15(29-12)14-8-16(19(20,21)22)26-17(25-14)13(10-24-26)18(27)23-9-11-4-3-7-28-11/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,23,27)
InChIKeyDPMXMSRUPAURNF-UHFFFAOYSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3131909
5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 6991804
N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4118986
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 40719728
3-chloro-N-(oxolan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2860394
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42818227
5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451435
6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4119482
5-cyclopropyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449681
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46634730

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 17023713) is 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DPMXMSRUPAURNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-2-12-5-6-15(29-12)14-8-16(19(20,21)22)26-17(25-14)13(10-24-26)18(27)23-9-11-4-3-7-28-11/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,23,27).
What are the key properties of 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).