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

C13H18ClN3O — CID 114104418

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine
SMILESCCc1occc1C(N)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C13H18ClN3O/c1-4-12-9(5-6-18-12)10(15)7-11-13(14)8(2)16-17(11)3/h5-6,10H,4,7,15H2,1-3H3
InChIKeyJMBJKPCMWCRIMX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.78
Rot. Bonds4

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

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine (PubChem CID 114104418) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine
PubChem CID114104418
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine
SMILESCCc1occc1C(N)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C13H18ClN3O/c1-4-12-9(5-6-18-12)10(15)7-11-13(14)8(2)16-17(11)3/h5-6,10H,4,7,15H2,1-3H3
InChIKeyJMBJKPCMWCRIMX-UHFFFAOYSA-N
XLogP2.78
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104996806
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877832
1-(2-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996816
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305018
(1S)-1-(2-ethylfuran-3-yl)propan-1-amine
CID 55291890
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104996691
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
CID 66057532
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromofuran-3-yl)ethanamine
CID 106857889
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127505
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420924
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996860

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine (CID 114104418) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine is CCc1occc1C(N)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine?
The InChIKey is JMBJKPCMWCRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-12-9(5-6-18-12)10(15)7-11-13(14)8(2)16-17(11)3/h5-6,10H,4,7,15H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine has a molecular weight of 267.76 g/mol, XLogP of 2.78, 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-ethylfuran-3-yl)ethanamine is sourced from PubChem (CID 114104418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).