N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H15F3N4O4S — CID 119074249

IUPACN-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12
InChIInChI=1S/C14H15F3N4O4S/c1-7-3-11(14(15,16)17)21-12(19-7)8(4-18-21)13(22)20-9-5-26(23,24)6-10(9)25-2/h3-4,9-10H,5-6H2,1-2H3,(H,20,22)/t9-,10-/m1/s1
InChIKeyPSANNRSFGXMQQQ-NXEZZACHSA-N
MW392.36 g/mol
LogP0.60
Rot. Bonds3

About N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 119074249) has the molecular formula C14H15F3N4O4S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID119074249
Molecular FormulaC14H15F3N4O4S
Molecular Weight392.36 g/mol
Exact Mass392.08
IUPAC NameN-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12
InChIInChI=1S/C14H15F3N4O4S/c1-7-3-11(14(15,16)17)21-12(19-7)8(4-18-21)13(22)20-9-5-26(23,24)6-10(9)25-2/h3-4,9-10H,5-6H2,1-2H3,(H,20,22)/t9-,10-/m1/s1
InChIKeyPSANNRSFGXMQQQ-NXEZZACHSA-N
XLogP0.60
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119072347
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
N-(4-methoxy-1,1-dioxothiolan-3-yl)-1,2-dimethylpyrrole-3-carboxamide
CID 156609073
N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine
CID 131913220
N-[(1R,2R)-2-aminocyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 93451747
5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451435
methyl 5-carbamoyl-2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19449651
7-(difluoromethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447131
[(E)-[amino-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]amino] 2-bromobenzoate
CID 19614461
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 133120307
tert-butyl N-[5-chloro-3-[[(1S,2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457848
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19290540

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 119074249) is N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PSANNRSFGXMQQQ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H15F3N4O4S/c1-7-3-11(14(15,16)17)21-12(19-7)8(4-18-21)13(22)20-9-5-26(23,24)6-10(9)25-2/h3-4,9-10H,5-6H2,1-2H3,(H,20,22)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119074249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).