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

C12H13FN4O2 — CID 175973961

IUPACethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nccc(Cn2cc(N)cn2)c1F
InChIInChI=1S/C12H13FN4O2/c1-2-19-12(18)11-10(13)8(3-4-15-11)6-17-7-9(14)5-16-17/h3-5,7H,2,6,14H2,1H3
InChIKeyQGPYUQVSSBVZKJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.22
Rot. Bonds4

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

ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate (PubChem CID 175973961) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
PubChem CID175973961
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Nameethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nccc(Cn2cc(N)cn2)c1F
InChIInChI=1S/C12H13FN4O2/c1-2-19-12(18)11-10(13)8(3-4-15-11)6-17-7-9(14)5-16-17/h3-5,7H,2,6,14H2,1H3
InChIKeyQGPYUQVSSBVZKJ-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

Analyze ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate (CID 175973961) is ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate is CCOC(=O)c1nccc(Cn2cc(N)cn2)c1F.
What is the InChIKey of ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
The InChIKey is QGPYUQVSSBVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-2-19-12(18)11-10(13)8(3-4-15-11)6-17-7-9(14)5-16-17/h3-5,7H,2,6,14H2,1H3.
What are the key properties of ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate?
ethyl 4-[(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 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 175973961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).