2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine

C14H15FN4O2 — CID 138649623

IUPAC2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine
SMILESCCOC1CC(n2cc(N=O)c(-c3ncccc3F)n2)C1
InChIInChI=1S/C14H15FN4O2/c1-2-21-10-6-9(7-10)19-8-12(18-20)14(17-19)13-11(15)4-3-5-16-13/h3-5,8-10H,2,6-7H2,1H3
InChIKeyVXDWULZIEWCKKL-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.22
Rot. Bonds5

About 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine

2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine (PubChem CID 138649623) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine.

Molecular Properties

Compound Name2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine
PubChem CID138649623
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine
SMILESCCOC1CC(n2cc(N=O)c(-c3ncccc3F)n2)C1
InChIInChI=1S/C14H15FN4O2/c1-2-21-10-6-9(7-10)19-8-12(18-20)14(17-19)13-11(15)4-3-5-16-13/h3-5,8-10H,2,6-7H2,1H3
InChIKeyVXDWULZIEWCKKL-UHFFFAOYSA-N
XLogP3.22
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethoxycyclobutyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-amine;2-[1-(3-ethoxycyclobutyl)-4-nitropyrazol-3-yl]-3-fluoropyridine
CID 161046981
3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol
CID 122638557
N-(3-ethoxycyclobutyl)-3-fluoropyridine-2-sulfonamide
CID 114118992
2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 140749483
N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
CID 106545829
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040
ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate
CID 142565921
N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 112568481
N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane
CID 161328772
3-fluoro-2-pyridin-2-ylpyridine;methoxymethane
CID 145129615
2-ethoxy-4-(3-fluoro-2-pyridinyl)pyridine
CID 173296229
N-[1-(3-ethoxycyclobutyl)-3-(4-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-(6-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis(N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);formic acid
CID 158944481

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine?
The IUPAC name of 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine (CID 138649623) is 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine.
What is the SMILES notation for 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine?
The canonical SMILES for 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine is CCOC1CC(n2cc(N=O)c(-c3ncccc3F)n2)C1.
What is the InChIKey of 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine?
The InChIKey is VXDWULZIEWCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-2-21-10-6-9(7-10)19-8-12(18-20)14(17-19)13-11(15)4-3-5-16-13/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine?
2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine has a molecular weight of 290.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine is sourced from PubChem (CID 138649623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).