N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15F3N4O2S — CID 2975136

IUPACN-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C16H15F3N4O2S/c1-9(8-25-2)21-15(24)10-7-20-23-13(16(17,18)19)6-11(22-14(10)23)12-4-3-5-26-12/h3-7,9H,8H2,1-2H3,(H,21,24)
InChIKeyDACWIZMANHXWKZ-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.24
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2975136) has the molecular formula C16H15F3N4O2S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2975136
Molecular FormulaC16H15F3N4O2S
Molecular Weight384.38 g/mol
Exact Mass384.09
IUPAC NameN-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C16H15F3N4O2S/c1-9(8-25-2)21-15(24)10-7-20-23-13(16(17,18)19)6-11(22-14(10)23)12-4-3-5-26-12/h3-7,9H,8H2,1-2H3,(H,21,24)
InChIKeyDACWIZMANHXWKZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1365389
N-(pyridin-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1247942
N-[(2R)-butan-2-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111013
N-[1-(1-adamantyl)pyrazol-3-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020604
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020840
5-(4-fluorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4261634
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 29418714
(2S)-2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 148542991
[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 51548409
3-chloro-N-(3-propan-2-yloxypropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19584333
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046504

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2975136) is N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DACWIZMANHXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S/c1-9(8-25-2)21-15(24)10-7-20-23-13(16(17,18)19)6-11(22-14(10)23)12-4-3-5-26-12/h3-7,9H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2975136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).