N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

C14H18FN3O — CID 103131244

IUPACN-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccc(OC)cc1F
InChIInChI=1S/C14H18FN3O/c1-4-16-14(13-7-8-18(2)17-13)11-6-5-10(19-3)9-12(11)15/h5-9,14,16H,4H2,1-3H3
InChIKeyIPGBDQIAVNOVRR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.27
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 103131244) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID103131244
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccc(OC)cc1F
InChIInChI=1S/C14H18FN3O/c1-4-16-14(13-7-8-18(2)17-13)11-6-5-10(19-3)9-12(11)15/h5-9,14,16H,4H2,1-3H3
InChIKeyIPGBDQIAVNOVRR-UHFFFAOYSA-N
XLogP2.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)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

N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
N-[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134953
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[[4-bromo-2-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130800
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 82873200
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 103131244) is N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccc(OC)cc1F.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is IPGBDQIAVNOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-16-14(13-7-8-18(2)17-13)11-6-5-10(19-3)9-12(11)15/h5-9,14,16H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103131244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).