2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine

C16H22FN3O — CID 114648297

IUPAC2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
SMILESCCCn1ncc(OC)c1C(Cc1cccc(F)c1)NC
InChIInChI=1S/C16H22FN3O/c1-4-8-20-16(15(21-3)11-19-20)14(18-2)10-12-6-5-7-13(17)9-12/h5-7,9,11,14,18H,4,8,10H2,1-3H3
InChIKeyQHTVRXRZRFPYLI-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.94
Rot. Bonds7

About 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine

2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine (PubChem CID 114648297) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
PubChem CID114648297
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
SMILESCCCn1ncc(OC)c1C(Cc1cccc(F)c1)NC
InChIInChI=1S/C16H22FN3O/c1-4-8-20-16(15(21-3)11-19-20)14(18-2)10-12-6-5-7-13(17)9-12/h5-7,9,11,14,18H,4,8,10H2,1-3H3
InChIKeyQHTVRXRZRFPYLI-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
[1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195259
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659071
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
1-(2-chloro-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114650267
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105187077
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine (CID 114648297) is 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine is CCCn1ncc(OC)c1C(Cc1cccc(F)c1)NC.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is QHTVRXRZRFPYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-8-20-16(15(21-3)11-19-20)14(18-2)10-12-6-5-7-13(17)9-12/h5-7,9,11,14,18H,4,8,10H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114648297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).