ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate

C12H13FN4O2 — CID 175599774

IUPACethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cn2cc(N)cn2)cc1F
InChIInChI=1S/C12H13FN4O2/c1-2-19-12(18)11-10(13)3-8(4-15-11)6-17-7-9(14)5-16-17/h3-5,7H,2,6,14H2,1H3
InChIKeyZEAJIGOZMONKQG-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.22
Rot. Bonds4

About ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate

ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate (PubChem CID 175599774) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
PubChem CID175599774
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Nameethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cn2cc(N)cn2)cc1F
InChIInChI=1S/C12H13FN4O2/c1-2-19-12(18)11-10(13)3-8(4-15-11)6-17-7-9(14)5-16-17/h3-5,7H,2,6,14H2,1H3
InChIKeyZEAJIGOZMONKQG-UHFFFAOYSA-N
XLogP1.22
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate (CID 175599774) is ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate is CCOC(=O)c1ncc(Cn2cc(N)cn2)cc1F.
What is the InChIKey of ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
The InChIKey is ZEAJIGOZMONKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-2-19-12(18)11-10(13)3-8(4-15-11)6-17-7-9(14)5-16-17/h3-5,7H,2,6,14H2,1H3.
What are the key properties of ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 175599774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).