methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

C14H12N4O2S — CID 3768908

IUPACmethyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1N
InChIInChI=1S/C14H12N4O2S/c1-20-13(19)10-7-16-18(12(10)15)14-17-11(8-21-14)9-5-3-2-4-6-9/h2-8H,15H2,1H3
InChIKeyPMYCXCFSWDWPLC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.36
Rot. Bonds3

About methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate (PubChem CID 3768908) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate
PubChem CID3768908
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Namemethyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1N
InChIInChI=1S/C14H12N4O2S/c1-20-13(19)10-7-16-18(12(10)15)14-17-11(8-21-14)9-5-3-2-4-6-9/h2-8H,15H2,1H3
InChIKeyPMYCXCFSWDWPLC-UHFFFAOYSA-N
XLogP2.36
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate (CID 3768908) is methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1N.
What is the InChIKey of methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The InChIKey is PMYCXCFSWDWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-13(19)10-7-16-18(12(10)15)14-17-11(8-21-14)9-5-3-2-4-6-9/h2-8H,15H2,1H3.
What are the key properties of methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 3768908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).