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

C10H13N3OS — CID 43647436

IUPAC[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol
SMILESCc1nn(Cc2cscn2)c(C)c1CO
InChIInChI=1S/C10H13N3OS/c1-7-10(4-14)8(2)13(12-7)3-9-5-15-6-11-9/h5-6,14H,3-4H2,1-2H3
InChIKeyYIEZUZDOESTDHR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.50
Rot. Bonds3

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

[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol (PubChem CID 43647436) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol
PubChem CID43647436
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol
SMILESCc1nn(Cc2cscn2)c(C)c1CO
InChIInChI=1S/C10H13N3OS/c1-7-10(4-14)8(2)13(12-7)3-9-5-15-6-11-9/h5-6,14H,3-4H2,1-2H3
InChIKeyYIEZUZDOESTDHR-UHFFFAOYSA-N
XLogP1.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.50
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-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol (CID 43647436) is [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol is Cc1nn(Cc2cscn2)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol?
The InChIKey is YIEZUZDOESTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-10(4-14)8(2)13(12-7)3-9-5-15-6-11-9/h5-6,14H,3-4H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol?
[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol has a molecular weight of 223.30 g/mol, XLogP of 1.50, 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-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).