3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine

C16H13F4N3 — CID 175939145

IUPAC3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(F)F)c3n2)cc1C
InChIInChI=1S/C16H13F4N3/c1-8-3-4-10(5-9(8)2)12-6-13(15(19)20)23-16(22-12)11(7-21-23)14(17)18/h3-7,14-15H,1-2H3
InChIKeyPKPUMVFFEHHEGA-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.89
Rot. Bonds3

About 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine

3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 175939145) has the molecular formula C16H13F4N3 and a molecular weight of 323.29 g/mol. Its IUPAC name is 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID175939145
Molecular FormulaC16H13F4N3
Molecular Weight323.29 g/mol
Exact Mass323.10
IUPAC Name3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(F)F)c3n2)cc1C
InChIInChI=1S/C16H13F4N3/c1-8-3-4-10(5-9(8)2)12-6-13(15(19)20)23-16(22-12)11(7-21-23)14(17)18/h3-7,14-15H,1-2H3
InChIKeyPKPUMVFFEHHEGA-UHFFFAOYSA-N
XLogP4.89
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-3-methylphenyl)-7-(difluoromethyl)-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 86608084
methyl 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4770358
5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-2-methylbenzenesulfonamide
CID 11851716
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4767360
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl-trimethylsilane
CID 67000647
7-(difluoromethyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17026611
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
1-[[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-hydroxymethyl]indole-3-carboxylic acid
CID 142949218

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine (CID 175939145) is 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc(C(F)F)n3ncc(C(F)F)c3n2)cc1C.
What is the InChIKey of 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PKPUMVFFEHHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3/c1-8-3-4-10(5-9(8)2)12-6-13(15(19)20)23-16(22-12)11(7-21-23)14(17)18/h3-7,14-15H,1-2H3.
What are the key properties of 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine?
3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 323.29 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 175939145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).