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

C20H19F3N6OS — CID 1000339

IUPAC5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C20H19F3N6OS/c1-4-13-5-6-16(31-13)14-7-17(20(21,22)23)29-18(25-14)8-15(26-29)19(30)27(2)10-12-9-24-28(3)11-12/h5-9,11H,4,10H2,1-3H3
InChIKeySWCJQYAGFVHQTK-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.04
Rot. Bonds5

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

5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1000339) has the molecular formula C20H19F3N6OS and a molecular weight of 448.47 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1000339
Molecular FormulaC20H19F3N6OS
Molecular Weight448.47 g/mol
Exact Mass448.13
IUPAC Name5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C20H19F3N6OS/c1-4-13-5-6-16(31-13)14-7-17(20(21,22)23)29-18(25-14)8-15(26-29)19(30)27(2)10-12-9-24-28(3)11-12/h5-9,11H,4,10H2,1-3H3
InChIKeySWCJQYAGFVHQTK-UHFFFAOYSA-N
XLogP4.04
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1000339) is 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4)cc3n2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SWCJQYAGFVHQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6OS/c1-4-13-5-6-16(31-13)14-7-17(20(21,22)23)29-18(25-14)8-15(26-29)19(30)27(2)10-12-9-24-28(3)11-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1000339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).