ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

C12H11F3N4O2 — CID 722162

IUPACethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C12H11F3N4O2/c1-2-21-11(20)8-6-18-19(10(8)16)9-4-3-7(5-17-9)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyCTENAVZLUIFZJC-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.05
Rot. Bonds3

About ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 722162) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID722162
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Nameethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C12H11F3N4O2/c1-2-21-11(20)8-6-18-19(10(8)16)9-4-3-7(5-17-9)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyCTENAVZLUIFZJC-UHFFFAOYSA-N
XLogP2.05
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (CID 722162) is ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N.
What is the InChIKey of ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is CTENAVZLUIFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-2-21-11(20)8-6-18-19(10(8)16)9-4-3-7(5-17-9)12(13,14)15/h3-6H,2,16H2,1H3.
What are the key properties of ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 300.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 722162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).