(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C14H15F3N4O — CID 164641297

IUPAC(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](C(F)(F)F)C2)n2nc(C)cc2n1
InChIInChI=1S/C14H15F3N4O/c1-8-5-11(21-12(18-8)6-9(2)19-21)13(22)20-4-3-10(7-20)14(15,16)17/h5-6,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyZJAQXOXBBJZMRC-JTQLQIEISA-N
MW312.30 g/mol
LogP2.37
Rot. Bonds1

About (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 164641297) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID164641297
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](C(F)(F)F)C2)n2nc(C)cc2n1
InChIInChI=1S/C14H15F3N4O/c1-8-5-11(21-12(18-8)6-9(2)19-21)13(22)20-4-3-10(7-20)14(15,16)17/h5-6,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyZJAQXOXBBJZMRC-JTQLQIEISA-N
XLogP2.37
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Cyclopropyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-piperidin-1-yl)-methanone
CID 1164878
5-Cyclopropyl-7-(difluoromethyl)-2-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2235220
N-allyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243233
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 671633
Piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135300269
5-Cyclopropyl-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2982275
2-Tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 49830970
N-isopropyl-2,6-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 50954229
1-Ethyl-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040843
(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(piperidino)methanone
CID 53040897
5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 164641297) is (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)C2)n2nc(C)cc2n1.
What is the InChIKey of (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZJAQXOXBBJZMRC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-5-11(21-12(18-8)6-9(2)19-21)13(22)20-4-3-10(7-20)14(15,16)17/h5-6,10H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 312.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164641297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).