1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

C13H14Cl2FN3 — CID 114650316

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESCCn1ncc(Cl)c1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-2-19-13(10(15)7-18-19)12(17)6-8-9(14)4-3-5-11(8)16/h3-5,7,12H,2,6,17H2,1H3
InChIKeyQMVBEZGACCMIDC-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 114650316) has the molecular formula C13H14Cl2FN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID114650316
Molecular FormulaC13H14Cl2FN3
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESCCn1ncc(Cl)c1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-2-19-13(10(15)7-18-19)12(17)6-8-9(14)4-3-5-11(8)16/h3-5,7,12H,2,6,17H2,1H3
InChIKeyQMVBEZGACCMIDC-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105040483
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 114650316) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is CCn1ncc(Cl)c1C(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is QMVBEZGACCMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FN3/c1-2-19-13(10(15)7-18-19)12(17)6-8-9(14)4-3-5-11(8)16/h3-5,7,12H,2,6,17H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 302.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 114650316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).