2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine

C11H20FN3 — CID 112567934

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1cnn(CC)c1
InChIInChI=1S/C11H20FN3/c1-3-5-11(12,9-13)6-10-7-14-15(4-2)8-10/h7-8H,3-6,9,13H2,1-2H3
InChIKeyWQUGEUAPKIPCBD-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.91
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine (PubChem CID 112567934) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
PubChem CID112567934
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1cnn(CC)c1
InChIInChI=1S/C11H20FN3/c1-3-5-11(12,9-13)6-10-7-14-15(4-2)8-10/h7-8H,3-6,9,13H2,1-2H3
InChIKeyWQUGEUAPKIPCBD-UHFFFAOYSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
CID 62127656
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-fluoro-2-(pyridin-3-ylmethyl)pentan-1-amine
CID 104737462
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
CID 62723308
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
1,4-diethylpyrazole;ethane
CID 143641951
2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
CID 55041328
2-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450944
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine (CID 112567934) is 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine is CCCC(F)(CN)Cc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine?
The InChIKey is WQUGEUAPKIPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-3-5-11(12,9-13)6-10-7-14-15(4-2)8-10/h7-8H,3-6,9,13H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine is sourced from PubChem (CID 112567934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).