2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine

C11H20FN3 — CID 103023204

IUPAC2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
SMILESCCCC(F)(CN)CCc1cnn(C)c1
InChIInChI=1S/C11H20FN3/c1-3-5-11(12,9-13)6-4-10-7-14-15(2)8-10/h7-8H,3-6,9,13H2,1-2H3
InChIKeyALWFCABSRLXSBQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.82
Rot. Bonds6

About 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine

2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine (PubChem CID 103023204) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
PubChem CID103023204
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
SMILESCCCC(F)(CN)CCc1cnn(C)c1
InChIInChI=1S/C11H20FN3/c1-3-5-11(12,9-13)6-4-10-7-14-15(2)8-10/h7-8H,3-6,9,13H2,1-2H3
InChIKeyALWFCABSRLXSBQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-propylpyrazole;propane
CID 155742221
2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
CID 112567934
3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103007100
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine?
The IUPAC name of 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine (CID 103023204) is 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine?
The canonical SMILES for 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine is CCCC(F)(CN)CCc1cnn(C)c1.
What is the InChIKey of 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine?
The InChIKey is ALWFCABSRLXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-3-5-11(12,9-13)6-4-10-7-14-15(2)8-10/h7-8H,3-6,9,13H2,1-2H3.
What are the key properties of 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine?
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 103023204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).