2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine

C14H17ClFN3O — CID 81305018

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2c(Cl)c(C)nn2C)c(F)c1
InChIInChI=1S/C14H17ClFN3O/c1-8-14(15)13(19(2)18-8)7-12(17)10-5-4-9(20-3)6-11(10)16/h4-6,12H,7,17H2,1-3H3
InChIKeyQDQUZPHZPRVLAT-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 81305018) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
PubChem CID81305018
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2c(Cl)c(C)nn2C)c(F)c1
InChIInChI=1S/C14H17ClFN3O/c1-8-14(15)13(19(2)18-8)7-12(17)10-5-4-9(20-3)6-11(10)16/h4-6,12H,7,17H2,1-3H3
InChIKeyQDQUZPHZPRVLAT-UHFFFAOYSA-N
XLogP2.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
1-(2-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996816
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 81299680
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877832
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-4-chloro-1,3-dimethylpyrazole
CID 66043139
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (CID 81305018) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2c(Cl)c(C)nn2C)c(F)c1.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is QDQUZPHZPRVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-8-14(15)13(19(2)18-8)7-12(17)10-5-4-9(20-3)6-11(10)16/h4-6,12H,7,17H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 297.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81305018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).