5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H16N4OS — CID 31043337

IUPAC5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(Cc3sc(C)nc3C)nc12
InChIInChI=1S/C14H16N4OS/c1-4-10-7-15-18-13(19)6-11(17-14(10)18)5-12-8(2)16-9(3)20-12/h6-7,15H,4-5H2,1-3H3
InChIKeyRFGDNZLBNAOVKJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.25
Rot. Bonds3

About 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 31043337) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID31043337
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(Cc3sc(C)nc3C)nc12
InChIInChI=1S/C14H16N4OS/c1-4-10-7-15-18-13(19)6-11(17-14(10)18)5-12-8(2)16-9(3)20-12/h6-7,15H,4-5H2,1-3H3
InChIKeyRFGDNZLBNAOVKJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 31043337) is 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c[nH]n2c(=O)cc(Cc3sc(C)nc3C)nc12.
What is the InChIKey of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RFGDNZLBNAOVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-4-10-7-15-18-13(19)6-11(17-14(10)18)5-12-8(2)16-9(3)20-12/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 31043337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).