N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine

C15H20FN3O — CID 115816115

IUPACN-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1cnn(CC)c1
InChIInChI=1S/C15H20FN3O/c1-4-17-15(12-9-18-19(5-2)10-12)11-6-7-14(20-3)13(16)8-11/h6-10,15,17H,4-5H2,1-3H3
InChIKeyDOUZOYBFXRLGOB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.75
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 115816115) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID115816115
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1cnn(CC)c1
InChIInChI=1S/C15H20FN3O/c1-4-17-15(12-9-18-19(5-2)10-12)11-6-7-14(20-3)13(16)8-11/h6-10,15,17H,4-5H2,1-3H3
InChIKeyDOUZOYBFXRLGOB-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
CID 115815706
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857575
N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105108938
N-[(3-fluoro-4-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79694017
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 115816115) is N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(F)c1)c1cnn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is DOUZOYBFXRLGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-17-15(12-9-18-19(5-2)10-12)11-6-7-14(20-3)13(16)8-11/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115816115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).