5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H14F3N5OS — CID 19447414

IUPAC5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)sc2c1
InChIInChI=1S/C19H14F3N5OS/c1-9-2-5-11-14(6-9)29-18(24-11)25-17(28)13-8-16-23-12(10-3-4-10)7-15(19(20,21)22)27(16)26-13/h2,5-8,10H,3-4H2,1H3,(H,24,25,28)
InChIKeyBTHCCLDTFUTEKD-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.80
Rot. Bonds3

About 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19447414) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19447414
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC Name5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)sc2c1
InChIInChI=1S/C19H14F3N5OS/c1-9-2-5-11-14(6-9)29-18(24-11)25-17(28)13-8-16-23-12(10-3-4-10)7-15(19(20,21)22)27(16)26-13/h2,5-8,10H,3-4H2,1H3,(H,24,25,28)
InChIKeyBTHCCLDTFUTEKD-UHFFFAOYSA-N
XLogP4.80
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447361
5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4771847
5-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394331
3-chloro-5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451562
methyl 2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19447457
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 19505761
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19447444
N-(1-benzyl-1,2,4-triazol-3-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447477
2-(cyclopropanecarbonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 121110592
2-O-ethyl 4-O-propan-2-yl 5-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19447372
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19345547
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19447414) is 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc2nc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)sc2c1.
What is the InChIKey of 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BTHCCLDTFUTEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c1-9-2-5-11-14(6-9)29-18(24-11)25-17(28)13-8-16-23-12(10-3-4-10)7-15(19(20,21)22)27(16)26-13/h2,5-8,10H,3-4H2,1H3,(H,24,25,28).
What are the key properties of 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19447414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).