3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole

C13H11N3S — CID 135763157

IUPAC3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole
SMILESCc1[nH]nc(-c2ccccc2)c1-c1ccsn1
InChIInChI=1S/C13H11N3S/c1-9-12(11-7-8-17-16-11)13(15-14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyDTCOYOKFUCGRIP-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.51
Rot. Bonds2

About 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole

3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole (PubChem CID 135763157) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole
PubChem CID135763157
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole
SMILESCc1[nH]nc(-c2ccccc2)c1-c1ccsn1
InChIInChI=1S/C13H11N3S/c1-9-12(11-7-8-17-16-11)13(15-14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyDTCOYOKFUCGRIP-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole?
The IUPAC name of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole (CID 135763157) is 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole.
What is the SMILES notation for 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole?
The canonical SMILES for 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole is Cc1[nH]nc(-c2ccccc2)c1-c1ccsn1.
What is the InChIKey of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole?
The InChIKey is DTCOYOKFUCGRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-12(11-7-8-17-16-11)13(15-14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15).
What are the key properties of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole?
3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole has a molecular weight of 241.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole is sourced from PubChem (CID 135763157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).