2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol

C12H17N3OS — CID 75522116

IUPAC2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
SMILESCc1nc(Cn2nc(C)c(CCO)c2C)cs1
InChIInChI=1S/C12H17N3OS/c1-8-12(4-5-16)9(2)15(14-8)6-11-7-17-10(3)13-11/h7,16H,4-6H2,1-3H3
InChIKeyARDMNZHSRBMEOQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.85
Rot. Bonds4

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

2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol (PubChem CID 75522116) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
PubChem CID75522116
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
SMILESCc1nc(Cn2nc(C)c(CCO)c2C)cs1
InChIInChI=1S/C12H17N3OS/c1-8-12(4-5-16)9(2)15(14-8)6-11-7-17-10(3)13-11/h7,16H,4-6H2,1-3H3
InChIKeyARDMNZHSRBMEOQ-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol (CID 75522116) is 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol is Cc1nc(Cn2nc(C)c(CCO)c2C)cs1.
What is the InChIKey of 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is ARDMNZHSRBMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-12(4-5-16)9(2)15(14-8)6-11-7-17-10(3)13-11/h7,16H,4-6H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 251.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 75522116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).