3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine

C9H16FN3O — CID 114667945

IUPAC3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
SMILESCCn1ncc(OC)c1C(F)CCN
InChIInChI=1S/C9H16FN3O/c1-3-13-9(7(10)4-5-11)8(14-2)6-12-13/h6-7H,3-5,11H2,1-2H3
InChIKeyWURZLTAAEDANNC-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.27
Rot. Bonds5

About 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine

3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine (PubChem CID 114667945) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
PubChem CID114667945
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
SMILESCCn1ncc(OC)c1C(F)CCN
InChIInChI=1S/C9H16FN3O/c1-3-13-9(7(10)4-5-11)8(14-2)6-12-13/h6-7H,3-5,11H2,1-2H3
InChIKeyWURZLTAAEDANNC-UHFFFAOYSA-N
XLogP1.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
1-(1-ethyl-4-methoxypyrazol-5-yl)pentylhydrazine
CID 105245644
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245956
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine (CID 114667945) is 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine is CCn1ncc(OC)c1C(F)CCN.
What is the InChIKey of 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine?
The InChIKey is WURZLTAAEDANNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O/c1-3-13-9(7(10)4-5-11)8(14-2)6-12-13/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine?
3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine has a molecular weight of 201.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 114667945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).