ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate

C15H18FN3O3 — CID 142565921

IUPACethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(OC)c(-c2ncccc2F)n1
InChIInChI=1S/C15H18FN3O3/c1-5-22-14(20)15(2,3)19-9-11(21-4)13(18-19)12-10(16)7-6-8-17-12/h6-9H,5H2,1-4H3
InChIKeyYWFPTWNIWPLHGL-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.39
Rot. Bonds5

About ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate

ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate (PubChem CID 142565921) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate
PubChem CID142565921
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Nameethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(OC)c(-c2ncccc2F)n1
InChIInChI=1S/C15H18FN3O3/c1-5-22-14(20)15(2,3)19-9-11(21-4)13(18-19)12-10(16)7-6-8-17-12/h6-9H,5H2,1-4H3
InChIKeyYWFPTWNIWPLHGL-UHFFFAOYSA-N
XLogP2.39
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 3-[5-(3-fluoro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]propanoate
CID 167056907
ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
CID 140916991
ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
CID 174669699
diethyl 2-(3-iodopyrazol-1-yl)-2-methylpropanedioate
CID 154668909
ethyl (E)-3-(3-methoxy-2-pyridinyl)prop-2-enoate
CID 15110923
methyl 2-[[5-(3-fluoro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetate
CID 170442352
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride
CID 142566404
4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
CID 122564734
3-fluoro-2-(2,3,4-trimethoxyphenyl)pyridine
CID 72878794
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate (CID 142565921) is ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)n1cc(OC)c(-c2ncccc2F)n1.
What is the InChIKey of ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate?
The InChIKey is YWFPTWNIWPLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-5-22-14(20)15(2,3)19-9-11(21-4)13(18-19)12-10(16)7-6-8-17-12/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate?
ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate has a molecular weight of 307.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 142565921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).