ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate

C11H11FN4O2 — CID 107346843

IUPACethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccncc2F)cc1N
InChIInChI=1S/C11H11FN4O2/c1-2-18-11(17)10-8(13)6-16(15-10)9-3-4-14-5-7(9)12/h3-6H,2,13H2,1H3
InChIKeyKXWBMUGGUPFJRA-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.17
Rot. Bonds3

About ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate (PubChem CID 107346843) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate
PubChem CID107346843
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Nameethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccncc2F)cc1N
InChIInChI=1S/C11H11FN4O2/c1-2-18-11(17)10-8(13)6-16(15-10)9-3-4-14-5-7(9)12/h3-6H,2,13H2,1H3
InChIKeyKXWBMUGGUPFJRA-UHFFFAOYSA-N
XLogP1.17
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate (CID 107346843) is ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccncc2F)cc1N.
What is the InChIKey of ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is KXWBMUGGUPFJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-2-18-11(17)10-8(13)6-16(15-10)9-3-4-14-5-7(9)12/h3-6H,2,13H2,1H3.
What are the key properties of ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).