2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H19N3O — CID 870375

IUPAC2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1cccc2ccccc12
InChIInChI=1S/C20H19N3O/c1-12(2)17-11-18(24)23-20(21-17)19(13(3)22-23)16-10-6-8-14-7-4-5-9-15(14)16/h4-12,22H,1-3H3
InChIKeyLPJFZENNIDIMAL-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.27
Rot. Bonds2

About 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 870375) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID870375
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1cccc2ccccc12
InChIInChI=1S/C20H19N3O/c1-12(2)17-11-18(24)23-20(21-17)19(13(3)22-23)16-10-6-8-14-7-4-5-9-15(14)16/h4-12,22H,1-3H3
InChIKeyLPJFZENNIDIMAL-UHFFFAOYSA-N
XLogP4.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 870375) is 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LPJFZENNIDIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12(2)17-11-18(24)23-20(21-17)19(13(3)22-23)16-10-6-8-14-7-4-5-9-15(14)16/h4-12,22H,1-3H3.
What are the key properties of 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 317.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 870375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).