N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine

C11H13FN4 — CID 115729387

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)c1cncc(F)c1
InChIInChI=1S/C11H13FN4/c1-8(9-5-10(12)7-13-6-9)14-11-3-4-16(2)15-11/h3-8H,1-2H3,(H,14,15)
InChIKeyOAUJGQILUNXSQM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.13
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine (PubChem CID 115729387) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine
PubChem CID115729387
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)c1cncc(F)c1
InChIInChI=1S/C11H13FN4/c1-8(9-5-10(12)7-13-6-9)14-11-3-4-16(2)15-11/h3-8H,1-2H3,(H,14,15)
InChIKeyOAUJGQILUNXSQM-UHFFFAOYSA-N
XLogP2.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methylpyrazol-3-amine
CID 93329707
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine
CID 60809806
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine
CID 115729372
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine (CID 115729387) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine is CC(Nc1ccn(C)n1)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine?
The InChIKey is OAUJGQILUNXSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8(9-5-10(12)7-13-6-9)14-11-3-4-16(2)15-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine has a molecular weight of 220.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 115729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).