5-(pyrazol-1-ylmethyl)-1,3-thiazole

C7H7N3S — CID 76542984

IUPAC5-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESc1cnn(Cc2cncs2)c1
InChIInChI=1S/C7H7N3S/c1-2-9-10(3-1)5-7-4-8-6-11-7/h1-4,6H,5H2
InChIKeyMCMUWFJRHBAVLM-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.39
Rot. Bonds2

About 5-(pyrazol-1-ylmethyl)-1,3-thiazole

5-(pyrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 76542984) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)-1,3-thiazole
PubChem CID76542984
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESc1cnn(Cc2cncs2)c1
InChIInChI=1S/C7H7N3S/c1-2-9-10(3-1)5-7-4-8-6-11-7/h1-4,6H,5H2
InChIKeyMCMUWFJRHBAVLM-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(pyrazol-1-ylmethyl)-1,3-thiazole (CID 76542984) is 5-(pyrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)-1,3-thiazole is c1cnn(Cc2cncs2)c1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is MCMUWFJRHBAVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-9-10(3-1)5-7-4-8-6-11-7/h1-4,6H,5H2.
What are the key properties of 5-(pyrazol-1-ylmethyl)-1,3-thiazole?
5-(pyrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 76542984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).