(1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C18H19F3N6O — CID 110238600

IUPAC(1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cnn(C)c4C)C3)cc2n1
InChIInChI=1S/C18H19F3N6O/c1-10-6-15(18(19,20)21)27-16(23-10)7-14(24-27)12-4-5-26(9-12)17(28)13-8-22-25(3)11(13)2/h6-8,12H,4-5,9H2,1-3H3
InChIKeyBXXWYKNPUXEJNP-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.73
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 110238600) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID110238600
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cnn(C)c4C)C3)cc2n1
InChIInChI=1S/C18H19F3N6O/c1-10-6-15(18(19,20)21)27-16(23-10)7-14(24-27)12-4-5-26(9-12)17(28)13-8-22-25(3)11(13)2/h6-8,12H,4-5,9H2,1-3H3
InChIKeyBXXWYKNPUXEJNP-UHFFFAOYSA-N
XLogP2.73
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl](piperidin-1-yl)methanone
CID 1093978
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761
5-Cyclopropyl-7-(difluoromethyl)-3-(1-pyrrolidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 1256831
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
(R)-(5-(2-(5-fluoropyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)(pyrrolidin-1-yl)methanone
CID 67501290
3-methyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 75201524
5-Cyclopropyl-7-(difluoromethyl)-3-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2980648
7-(Difluoromethyl)-5-phenyl-3-(1-pyrrolidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 969813
(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-pyrrolidin-1-ylmethanone
CID 29874167
7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995414
7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995509

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 110238600) is (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cnn(C)c4C)C3)cc2n1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is BXXWYKNPUXEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-10-6-15(18(19,20)21)27-16(23-10)7-14(24-27)12-4-5-26(9-12)17(28)13-8-22-25(3)11(13)2/h6-8,12H,4-5,9H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 392.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110238600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).