1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

C15H16F3N5O3 — CID 19622500

IUPAC1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)C(C)n1cc(C(=O)O)cn1
InChIInChI=1S/C15H16F3N5O3/c1-8-5-12-21(4-3-11(15(16,17)18)23(12)20-8)13(24)9(2)22-7-10(6-19-22)14(25)26/h5-7,9,11H,3-4H2,1-2H3,(H,25,26)
InChIKeyZUXNCAFFFUFQAD-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.19
Rot. Bonds3

About 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 19622500) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID19622500
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)C(C)n1cc(C(=O)O)cn1
InChIInChI=1S/C15H16F3N5O3/c1-8-5-12-21(4-3-11(15(16,17)18)23(12)20-8)13(24)9(2)22-7-10(6-19-22)14(25)26/h5-7,9,11H,3-4H2,1-2H3,(H,25,26)
InChIKeyZUXNCAFFFUFQAD-UHFFFAOYSA-N
XLogP2.19
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622382
2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid
CID 19622141
N-[4-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]phenyl]prop-2-enamide
CID 166405820
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 139008749
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622428
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 19499452
1-[2-oxo-2-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethyl]pyrazole-4-carboxylic acid
CID 19622377
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 29097799
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 19499708
[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 19471794
1-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470992
(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 1256617

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 19622500) is 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is Cc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)C(C)n1cc(C(=O)O)cn1.
What is the InChIKey of 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is ZUXNCAFFFUFQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-8-5-12-21(4-3-11(15(16,17)18)23(12)20-8)13(24)9(2)22-7-10(6-19-22)14(25)26/h5-7,9,11H,3-4H2,1-2H3,(H,25,26).
What are the key properties of 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 371.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).