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

C12H17N3OS — CID 62071703

IUPAC[3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol
SMILESCc1ncsc1CCn1nc(C)c(CO)c1C
InChIInChI=1S/C12H17N3OS/c1-8-11(6-16)10(3)15(14-8)5-4-12-9(2)13-7-17-12/h7,16H,4-6H2,1-3H3
InChIKeyTZOVLBAVYXIXBS-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.00
Rot. Bonds4

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

[3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol (PubChem CID 62071703) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol
PubChem CID62071703
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol
SMILESCc1ncsc1CCn1nc(C)c(CO)c1C
InChIInChI=1S/C12H17N3OS/c1-8-11(6-16)10(3)15(14-8)5-4-12-9(2)13-7-17-12/h7,16H,4-6H2,1-3H3
InChIKeyTZOVLBAVYXIXBS-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol (CID 62071703) is [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol is Cc1ncsc1CCn1nc(C)c(CO)c1C.
What is the InChIKey of [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol?
The InChIKey is TZOVLBAVYXIXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-11(6-16)10(3)15(14-8)5-4-12-9(2)13-7-17-12/h7,16H,4-6H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 62071703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).