2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol

C13H21N5OS — CID 110928886

IUPAC2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol
SMILESCCN(CC)c1ncc(CNc2cnn(CCO)c2)s1
InChIInChI=1S/C13H21N5OS/c1-3-17(4-2)13-15-9-12(20-13)8-14-11-7-16-18(10-11)5-6-19/h7,9-10,14,19H,3-6,8H2,1-2H3
InChIKeyYYOSGRPSBQAUJC-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.79
Rot. Bonds8

About 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol

2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928886) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol
PubChem CID110928886
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol
SMILESCCN(CC)c1ncc(CNc2cnn(CCO)c2)s1
InChIInChI=1S/C13H21N5OS/c1-3-17(4-2)13-15-9-12(20-13)8-14-11-7-16-18(10-11)5-6-19/h7,9-10,14,19H,3-6,8H2,1-2H3
InChIKeyYYOSGRPSBQAUJC-UHFFFAOYSA-N
XLogP1.79
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol (CID 110928886) is 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol is CCN(CC)c1ncc(CNc2cnn(CCO)c2)s1.
What is the InChIKey of 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
The InChIKey is YYOSGRPSBQAUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-3-17(4-2)13-15-9-12(20-13)8-14-11-7-16-18(10-11)5-6-19/h7,9-10,14,19H,3-6,8H2,1-2H3.
What are the key properties of 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol has a molecular weight of 295.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).