N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15F3N6OS — CID 19453750

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C
InChIInChI=1S/C18H15F3N6OS/c1-3-26-10(2)13(9-22-26)24-17(28)12-8-16-23-11(14-5-4-6-29-14)7-15(18(19,20)21)27(16)25-12/h4-9H,3H2,1-2H3,(H,24,28)
InChIKeyYYZKOVCWYGJLFG-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.25
Rot. Bonds4

About N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19453750) has the molecular formula C18H15F3N6OS and a molecular weight of 420.42 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19453750
Molecular FormulaC18H15F3N6OS
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C
InChIInChI=1S/C18H15F3N6OS/c1-3-26-10(2)13(9-22-26)24-17(28)12-8-16-23-11(14-5-4-6-29-14)7-15(18(19,20)21)27(16)25-12/h4-9H,3H2,1-2H3,(H,24,28)
InChIKeyYYZKOVCWYGJLFG-UHFFFAOYSA-N
XLogP4.25
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394331
N-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453631
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453629
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453576
N-(1-methylpyrazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453752
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1494222
N-[1-(methoxymethyl)pyrazol-4-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453795
N-[3,5-bis(2-methylphenoxy)phenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3107087
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453582
N-(3-propan-2-yloxypropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453804
N-(2-bromo-4,6-difluorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101964
(3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4771724

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19453750) is N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YYZKOVCWYGJLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6OS/c1-3-26-10(2)13(9-22-26)24-17(28)12-8-16-23-11(14-5-4-6-29-14)7-15(18(19,20)21)27(16)25-12/h4-9H,3H2,1-2H3,(H,24,28).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19453750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).