4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine

C8H14FN3O — CID 175131875

IUPAC4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
SMILESCOC(CF)C(N)Cn1cccn1
InChIInChI=1S/C8H14FN3O/c1-13-8(5-9)7(10)6-12-4-2-3-11-12/h2-4,7-8H,5-6,10H2,1H3
InChIKeyGKWVUUZJAGFSHW-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.19
Rot. Bonds5

About 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine

4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine (PubChem CID 175131875) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
PubChem CID175131875
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
SMILESCOC(CF)C(N)Cn1cccn1
InChIInChI=1S/C8H14FN3O/c1-13-8(5-9)7(10)6-12-4-2-3-11-12/h2-4,7-8H,5-6,10H2,1H3
InChIKeyGKWVUUZJAGFSHW-UHFFFAOYSA-N
XLogP0.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 2-(1H-pyrazol-1-ylmethyl)-
CID 54592633
2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 56828874
3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
rac-(1R,2R,3S)-3-amino-2-(1H-pyrazol-1-yl)cyclobutan-1-ol
CID 122164134
(1-Amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate
CID 71283886
1-[(3S)-4-fluoro-3-methoxybutyl]pyrazole
CID 134462774
(2R,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine
CID 135132841
(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine
CID 135132848
(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
CID 135132851
(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine
CID 135132894
(2R,3S)-3-fluoro-1-pyrazol-1-ylpentan-2-amine
CID 135133183
(2R,3S)-4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
CID 135133191

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine (CID 175131875) is 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine is COC(CF)C(N)Cn1cccn1.
What is the InChIKey of 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is GKWVUUZJAGFSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-13-8(5-9)7(10)6-12-4-2-3-11-12/h2-4,7-8H,5-6,10H2,1H3.
What are the key properties of 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine?
4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 187.22 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 175131875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).