7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine

C18H13F2N3 — CID 4777118

IUPAC7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3cccc4ccccc34)cc(C(F)F)n2n1
InChIInChI=1S/C18H13F2N3/c1-11-9-17-21-15(10-16(18(19)20)23(17)22-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,18H,1H3
InChIKeyVDDGGHOPQZJZTD-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.80
Rot. Bonds2

About 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 4777118) has the molecular formula C18H13F2N3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID4777118
Molecular FormulaC18H13F2N3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3cccc4ccccc34)cc(C(F)F)n2n1
InChIInChI=1S/C18H13F2N3/c1-11-9-17-21-15(10-16(18(19)20)23(17)22-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,18H,1H3
InChIKeyVDDGGHOPQZJZTD-UHFFFAOYSA-N
XLogP4.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane
CID 143251431
6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 10828075
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine
CID 29096252
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
7-methyl-2-naphthalen-1-ylimidazo[1,2-a]pyridine
CID 115404285
5,7-dimethyl-2-naphthalen-1-ylimidazo[1,2-a]pyrimidine
CID 115281809
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
(4-methyl-6-naphthalen-1-ylpyrimidin-2-yl)hydrazine
CID 116897194
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
2-methyl-5-naphthalen-1-ylpyrazine
CID 118148882

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine (CID 4777118) is 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3cccc4ccccc34)cc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VDDGGHOPQZJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3/c1-11-9-17-21-15(10-16(18(19)20)23(17)22-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,18H,1H3.
What are the key properties of 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 309.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4777118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).