1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine

C15H20FN3O — CID 114647418

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1ccc(F)cc1)NC
InChIInChI=1S/C15H20FN3O/c1-4-19-15(14(20-3)10-18-19)13(17-2)9-11-5-7-12(16)8-6-11/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyVZDQGWWJBAVQFR-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.55
Rot. Bonds6

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 114647418) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID114647418
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1ccc(F)cc1)NC
InChIInChI=1S/C15H20FN3O/c1-4-19-15(14(20-3)10-18-19)13(17-2)9-11-5-7-12(16)8-6-11/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyVZDQGWWJBAVQFR-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
[2-(3,5-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105206646
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
[2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339497
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine (CID 114647418) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine is CCn1ncc(OC)c1C(Cc1ccc(F)cc1)NC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is VZDQGWWJBAVQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-19-15(14(20-3)10-18-19)13(17-2)9-11-5-7-12(16)8-6-11/h5-8,10,13,17H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 114647418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).