[(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C23H19F3N6O — CID 51853386

IUPAC[(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@H](C(F)(F)F)C[C@@H]1C1CC1
InChIInChI=1S/C23H19F3N6O/c24-23(25,26)19-13-18(15-6-7-15)30(21-9-11-28-32(19)21)22(33)16-12-20-27-10-8-17(31(20)29-16)14-4-2-1-3-5-14/h1-5,8-12,15,18-19H,6-7,13H2/t18-,19+/m1/s1
InChIKeyASVHQHMXTWXYJD-MOPGFXCFSA-N
MW452.44 g/mol
LogP4.53
Rot. Bonds3

About [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

[(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 51853386) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID51853386
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name[(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@H](C(F)(F)F)C[C@@H]1C1CC1
InChIInChI=1S/C23H19F3N6O/c24-23(25,26)19-13-18(15-6-7-15)30(21-9-11-28-32(19)21)22(33)16-12-20-27-10-8-17(31(20)29-16)14-4-2-1-3-5-14/h1-5,8-12,15,18-19H,6-7,13H2/t18-,19+/m1/s1
InChIKeyASVHQHMXTWXYJD-MOPGFXCFSA-N
XLogP4.53
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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Related Compounds

[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 4775525
N-(2-fluorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400677
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone
CID 4777463
N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 1256617
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 58970141
[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,6-dimethylpiperazin-1-yl]-phenylmethanone
CID 167400882
7-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4774397
7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200540
(5R,7R)-5-cyclopropyl-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429902

Frequently Asked Questions

What is the IUPAC name of [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 51853386) is [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is O=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@H](C(F)(F)F)C[C@@H]1C1CC1.
What is the InChIKey of [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is ASVHQHMXTWXYJD-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H19F3N6O/c24-23(25,26)19-13-18(15-6-7-15)30(21-9-11-28-32(19)21)22(33)16-12-20-27-10-8-17(31(20)29-16)14-4-2-1-3-5-14/h1-5,8-12,15,18-19H,6-7,13H2/t18-,19+/m1/s1.
What are the key properties of [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
[(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 452.44 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7S)-5-cyclopropyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 51853386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).