1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one

C19H28N4OS — CID 161478120

IUPAC1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)c1cnn2c1NC(c1ncc(C)s1)CC2(C)C
InChIInChI=1S/C19H28N4OS/c1-6-13(7-2)8-16(24)14-11-21-23-17(14)22-15(9-19(23,4)5)18-20-10-12(3)25-18/h10-11,13,15,22H,6-9H2,1-5H3
InChIKeyWDZHRZSJHJNBOJ-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.95
Rot. Bonds6

About 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one

1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one (PubChem CID 161478120) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one.

Molecular Properties

Compound Name1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one
PubChem CID161478120
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)c1cnn2c1NC(c1ncc(C)s1)CC2(C)C
InChIInChI=1S/C19H28N4OS/c1-6-13(7-2)8-16(24)14-11-21-23-17(14)22-15(9-19(23,4)5)18-20-10-12(3)25-18/h10-11,13,15,22H,6-9H2,1-5H3
InChIKeyWDZHRZSJHJNBOJ-UHFFFAOYSA-N
XLogP4.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one?
The IUPAC name of 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one (CID 161478120) is 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one.
What is the SMILES notation for 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one?
The canonical SMILES for 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one is CCC(CC)CC(=O)c1cnn2c1NC(c1ncc(C)s1)CC2(C)C.
What is the InChIKey of 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one?
The InChIKey is WDZHRZSJHJNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-6-13(7-2)8-16(24)14-11-21-23-17(14)22-15(9-19(23,4)5)18-20-10-12(3)25-18/h10-11,13,15,22H,6-9H2,1-5H3.
What are the key properties of 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one?
1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one has a molecular weight of 360.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethylpentan-1-one is sourced from PubChem (CID 161478120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).