4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine

C14H27FN4O2 — CID 103392389

IUPAC4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H27FN4O2/c1-18(2)8-9-19-13(12(21-4)10-17-19)14(15,11-20-3)6-5-7-16/h10H,5-9,11,16H2,1-4H3
InChIKeyVYVFUIRKFOLHGF-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.00
Rot. Bonds10

About 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine

4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392389) has the molecular formula C14H27FN4O2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392389
Molecular FormulaC14H27FN4O2
Molecular Weight302.39 g/mol
Exact Mass302.21
IUPAC Name4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H27FN4O2/c1-18(2)8-9-19-13(12(21-4)10-17-19)14(15,11-20-3)6-5-7-16/h10H,5-9,11,16H2,1-4H3
InChIKeyVYVFUIRKFOLHGF-UHFFFAOYSA-N
XLogP1.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
CID 114866248
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
CID 114666994
2-[4-methoxy-5-(2,2,2-trifluoro-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105215882
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392590
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
CID 114667784
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392371
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine (CID 103392389) is 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is VYVFUIRKFOLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN4O2/c1-18(2)8-9-19-13(12(21-4)10-17-19)14(15,11-20-3)6-5-7-16/h10H,5-9,11,16H2,1-4H3.
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine?
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 302.39 g/mol, XLogP of 1.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).