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

C9H10N4O2S — CID 14051868

IUPACethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nccs2)c1N
InChIInChI=1S/C9H10N4O2S/c1-2-15-8(14)6-5-12-13(7(6)10)9-11-3-4-16-9/h3-5H,2,10H2,1H3
InChIKeyREXGBNCZFZQRSW-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.09
Rot. Bonds3

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

ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate (PubChem CID 14051868) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
PubChem CID14051868
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Nameethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nccs2)c1N
InChIInChI=1S/C9H10N4O2S/c1-2-15-8(14)6-5-12-13(7(6)10)9-11-3-4-16-9/h3-5H,2,10H2,1H3
InChIKeyREXGBNCZFZQRSW-UHFFFAOYSA-N
XLogP1.09
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
CID 176658912
ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate
CID 692270
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
CID 83808189
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoate
CID 3376847
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 5-amino-1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxylate
CID 135912919
ethyl 5-amino-1-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazole-4-carboxylate
CID 14517405
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate (CID 14051868) is ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2nccs2)c1N.
What is the InChIKey of ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The InChIKey is REXGBNCZFZQRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-2-15-8(14)6-5-12-13(7(6)10)9-11-3-4-16-9/h3-5H,2,10H2,1H3.
What are the key properties of ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 14051868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).