2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine

C23H17N3 — CID 30465498

IUPAC2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3cccc4ccccc34)ccnc2c1-c1ccccc1
InChIInChI=1S/C23H17N3/c1-16-22(18-9-3-2-4-10-18)23-24-15-14-21(26(23)25-16)20-13-7-11-17-8-5-6-12-19(17)20/h2-15H,1H3
InChIKeyZDSKGZWKTGDACG-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.52
Rot. Bonds2

About 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine

2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 30465498) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID30465498
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3cccc4ccccc34)ccnc2c1-c1ccccc1
InChIInChI=1S/C23H17N3/c1-16-22(18-9-3-2-4-10-18)23-24-15-14-21(26(23)25-16)20-13-7-11-17-8-5-6-12-19(17)20/h2-15H,1H3
InChIKeyZDSKGZWKTGDACG-UHFFFAOYSA-N
XLogP5.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623
7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 164575676
2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43841117
15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 628232
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56922577
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
methyl N-cyano-N'-[3-(2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]carbamimidothioate
CID 169362696
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 16585334
6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 2035725
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 30465498) is 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3cccc4ccccc34)ccnc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZDSKGZWKTGDACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-16-22(18-9-3-2-4-10-18)23-24-15-14-21(26(23)25-16)20-13-7-11-17-8-5-6-12-19(17)20/h2-15H,1H3.
What are the key properties of 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine?
2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 335.41 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 30465498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).