5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14F3N5OS — CID 19451426

IUPAC5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3c(C(F)(F)F)cc(C4CC4)nc23)sc1C
InChIInChI=1S/C16H14F3N5OS/c1-7-8(2)26-15(21-7)23-14(25)10-6-20-24-12(16(17,18)19)5-11(9-3-4-9)22-13(10)24/h5-6,9H,3-4H2,1-2H3,(H,21,23,25)
InChIKeyPLYOQFCYIDWYDS-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.95
Rot. Bonds3

About 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19451426) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19451426
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3c(C(F)(F)F)cc(C4CC4)nc23)sc1C
InChIInChI=1S/C16H14F3N5OS/c1-7-8(2)26-15(21-7)23-14(25)10-6-20-24-12(16(17,18)19)5-11(9-3-4-9)22-13(10)24/h5-6,9H,3-4H2,1-2H3,(H,21,23,25)
InChIKeyPLYOQFCYIDWYDS-UHFFFAOYSA-N
XLogP3.95
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257459
5,7-Dimethyl-6-[3-oxo-3-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45898471
[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone
CID 4768997
5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4769498
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769521
[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 4771331
5-cyclopropyl-7-(difluoromethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769751
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353373
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526585
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78098767
N-(4-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89515346

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19451426) is 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(NC(=O)c2cnn3c(C(F)(F)F)cc(C4CC4)nc23)sc1C.
What is the InChIKey of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PLYOQFCYIDWYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-7-8(2)26-15(21-7)23-14(25)10-6-20-24-12(16(17,18)19)5-11(9-3-4-9)22-13(10)24/h5-6,9H,3-4H2,1-2H3,(H,21,23,25).
What are the key properties of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19451426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).