2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

C15H19ClFN3O — CID 104998862

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19ClFN3O/c1-4-20-13(15(16)9(2)19-20)8-12(18)10-5-6-14(21-3)11(17)7-10/h5-7,12H,4,8,18H2,1-3H3
InChIKeyYOOWTMXKOQQGRP-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.26
Rot. Bonds5

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 104998862) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID104998862
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19ClFN3O/c1-4-20-13(15(16)9(2)19-20)8-12(18)10-5-6-14(21-3)11(17)7-10/h5-7,12H,4,8,18H2,1-3H3
InChIKeyYOOWTMXKOQQGRP-UHFFFAOYSA-N
XLogP3.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996860
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
1-(5-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 104998909
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 79025747
1-(3-fluoro-4-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999768
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104998858
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 104998862) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is CCn1nc(C)c(Cl)c1CC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is YOOWTMXKOQQGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-4-20-13(15(16)9(2)19-20)8-12(18)10-5-6-14(21-3)11(17)7-10/h5-7,12H,4,8,18H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 311.79 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 104998862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).