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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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).