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

C11H15N3OS — CID 63019255

IUPAC[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol
SMILESCc1ncc(Cn2nc(C)c(CO)c2C)s1
InChIInChI=1S/C11H15N3OS/c1-7-11(6-15)8(2)14(13-7)5-10-4-12-9(3)16-10/h4,15H,5-6H2,1-3H3
InChIKeyXTFGXOWLHVJAQS-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.81
Rot. Bonds3

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

[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol (PubChem CID 63019255) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol
PubChem CID63019255
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol
SMILESCc1ncc(Cn2nc(C)c(CO)c2C)s1
InChIInChI=1S/C11H15N3OS/c1-7-11(6-15)8(2)14(13-7)5-10-4-12-9(3)16-10/h4,15H,5-6H2,1-3H3
InChIKeyXTFGXOWLHVJAQS-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.81
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-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol (CID 63019255) is [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol is Cc1ncc(Cn2nc(C)c(CO)c2C)s1.
What is the InChIKey of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol?
The InChIKey is XTFGXOWLHVJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-11(6-15)8(2)14(13-7)5-10-4-12-9(3)16-10/h4,15H,5-6H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol has a molecular weight of 237.33 g/mol, XLogP of 1.81, 3 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-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 63019255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).