7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H15N3 — CID 136840971

IUPAC7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc2cc(C3CCNc4ccnn43)ccc2c1
InChIInChI=1S/C16H15N3/c1-2-4-13-11-14(6-5-12(13)3-1)15-7-9-17-16-8-10-18-19(15)16/h1-6,8,10-11,15,17H,7,9H2
InChIKeyCZRPNBUBVKCBKM-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.44
Rot. Bonds1

About 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840971) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840971
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc2cc(C3CCNc4ccnn43)ccc2c1
InChIInChI=1S/C16H15N3/c1-2-4-13-11-14(6-5-12(13)3-1)15-7-9-17-16-8-10-18-19(15)16/h1-6,8,10-11,15,17H,7,9H2
InChIKeyCZRPNBUBVKCBKM-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840971) is 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1ccc2cc(C3CCNc4ccnn43)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is CZRPNBUBVKCBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-4-13-11-14(6-5-12(13)3-1)15-7-9-17-16-8-10-18-19(15)16/h1-6,8,10-11,15,17H,7,9H2.
What are the key properties of 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 249.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).