N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

C13H17FN4O — CID 83117285

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2ccc(F)cn2)cn1
InChIInChI=1S/C13H17FN4O/c1-10(13-4-3-11(14)7-15-13)17-12-8-16-18(9-12)5-6-19-2/h3-4,7-10,17H,5-6H2,1-2H3
InChIKeyJCQFWGDTRQHLIS-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.24
Rot. Bonds6

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 83117285) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID83117285
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2ccc(F)cn2)cn1
InChIInChI=1S/C13H17FN4O/c1-10(13-4-3-11(14)7-15-13)17-12-8-16-18(9-12)5-6-19-2/h3-4,7-10,17H,5-6H2,1-2H3
InChIKeyJCQFWGDTRQHLIS-UHFFFAOYSA-N
XLogP2.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 83119610
2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43728870
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728901
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95979762
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 83117285) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC(C)c2ccc(F)cn2)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is JCQFWGDTRQHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-10(13-4-3-11(14)7-15-13)17-12-8-16-18(9-12)5-6-19-2/h3-4,7-10,17H,5-6H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 264.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 83117285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).