N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine

C15H19ClFN3O — CID 114658521

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1OC)c1c(Cl)cnn1CC
InChIInChI=1S/C15H19ClFN3O/c1-4-18-14(15-10(16)9-19-20(15)5-2)13-11(17)7-6-8-12(13)21-3/h6-9,14,18H,4-5H2,1-3H3
InChIKeyRNKPFJWHQOYXLQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.40
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine (PubChem CID 114658521) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
PubChem CID114658521
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1OC)c1c(Cl)cnn1CC
InChIInChI=1S/C15H19ClFN3O/c1-4-18-14(15-10(16)9-19-20(15)5-2)13-11(17)7-6-8-12(13)21-3/h6-9,14,18H,4-5H2,1-3H3
InChIKeyRNKPFJWHQOYXLQ-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-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

N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine
CID 114650579
[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252513
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 114658510
N-[(3-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 107953676
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
N-[(4-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114906523
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
[(4-chloro-1-ethylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105336455
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine (CID 114658521) is N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine is CCNC(c1c(F)cccc1OC)c1c(Cl)cnn1CC.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
The InChIKey is RNKPFJWHQOYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-4-18-14(15-10(16)9-19-20(15)5-2)13-11(17)7-6-8-12(13)21-3/h6-9,14,18H,4-5H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine has a molecular weight of 311.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114658521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).