1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine

C11H13FN4O — CID 114270448

IUPAC1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine
SMILESCCOc1nccc(-n2nc(N)cc2C)c1F
InChIInChI=1S/C11H13FN4O/c1-3-17-11-10(12)8(4-5-14-11)16-7(2)6-9(13)15-16/h4-6H,3H2,1-2H3,(H2,13,15)
InChIKeyOKAGSCSFGASDDC-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine

1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine (PubChem CID 114270448) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine
PubChem CID114270448
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine
SMILESCCOc1nccc(-n2nc(N)cc2C)c1F
InChIInChI=1S/C11H13FN4O/c1-3-17-11-10(12)8(4-5-14-11)16-7(2)6-9(13)15-16/h4-6H,3H2,1-2H3,(H2,13,15)
InChIKeyOKAGSCSFGASDDC-UHFFFAOYSA-N
XLogP1.70
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazol-3-amine
CID 107465396
2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide
CID 114253378
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine
CID 114281023
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
1-(3-fluoro-5-methylphenyl)-5-methylpyrazol-3-amine
CID 102942937
5-methyl-1-(1-methylpyrazol-3-yl)pyrazol-3-amine
CID 102942950
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82467326
(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 114270645

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine?
The IUPAC name of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine (CID 114270448) is 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine is CCOc1nccc(-n2nc(N)cc2C)c1F.
What is the InChIKey of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine?
The InChIKey is OKAGSCSFGASDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-17-11-10(12)8(4-5-14-11)16-7(2)6-9(13)15-16/h4-6H,3H2,1-2H3,(H2,13,15).
What are the key properties of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine?
1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine has a molecular weight of 236.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 114270448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).