(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C18H16FN3O — CID 27493263

IUPAC(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2ccco2)C1
InChIInChI=1S/C18H16FN3O/c1-11-10-15(16-4-3-9-23-16)22-18(20-11)17(12(2)21-22)13-5-7-14(19)8-6-13/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyHHHBGEKNBPLGKE-HNNXBMFYSA-N
MW309.34 g/mol
LogP4.68
Rot. Bonds2

About (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 27493263) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID27493263
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2ccco2)C1
InChIInChI=1S/C18H16FN3O/c1-11-10-15(16-4-3-9-23-16)22-18(20-11)17(12(2)21-22)13-5-7-14(19)8-6-13/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyHHHBGEKNBPLGKE-HNNXBMFYSA-N
XLogP4.68
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
5-(Furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 666158
N-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2809607
3-(4-Chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 2980926
N-[(4-fluorophenyl)methyl][5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazol o[1,5-a]1,3-diazaperhydroin-2-yl)]carboxamide
CID 3148206
N-(2-fluorobenzyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148215
N-(4-fluoro-2-methylphenyl)[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazo lo[1,5-a]1,3-diazaperhydroin-2-yl)]carboxamide
CID 3148233
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-[4-(methylethyl)phenyl]carboxamide
CID 3148235
N-(2,6-dimethylphenyl)[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1, 5-a]1,3-diazaperhydroin-2-yl)]carboxamide
CID 3148237
5-(furan-2-yl)-N-(2-methylphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148241
5-(furan-2-yl)-N-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148257
N-(2-ethylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148259

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 27493263) is (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2ccco2)C1.
What is the InChIKey of (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HHHBGEKNBPLGKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-10-15(16-4-3-9-23-16)22-18(20-11)17(12(2)21-22)13-5-7-14(19)8-6-13/h3-9,15H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 309.34 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 27493263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).