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

C16H21N5OS — CID 70769071

IUPAC5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)C(C)c3nc(C)sc3C)cc(=O)n2[nH]1
InChIInChI=1S/C16H21N5OS/c1-9-6-14-18-13(7-15(22)21(14)19-9)8-20(5)10(2)16-11(3)23-12(4)17-16/h6-7,10,19H,8H2,1-5H3
InChIKeyUDHXPPOGOCQGHN-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.60
Rot. Bonds4

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

5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70769071) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70769071
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)C(C)c3nc(C)sc3C)cc(=O)n2[nH]1
InChIInChI=1S/C16H21N5OS/c1-9-6-14-18-13(7-15(22)21(14)19-9)8-20(5)10(2)16-11(3)23-12(4)17-16/h6-7,10,19H,8H2,1-5H3
InChIKeyUDHXPPOGOCQGHN-UHFFFAOYSA-N
XLogP2.60
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70769071) is 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN(C)C(C)c3nc(C)sc3C)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UDHXPPOGOCQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-9-6-14-18-13(7-15(22)21(14)19-9)8-20(5)10(2)16-11(3)23-12(4)17-16/h6-7,10,19H,8H2,1-5H3.
What are the key properties of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 331.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).