1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine

C15H20ClN3 — CID 114650151

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCCn1ncc(Cl)c1C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H20ClN3/c1-4-19-15(13(16)9-18-19)14(17)8-12-6-5-10(2)11(3)7-12/h5-7,9,14H,4,8,17H2,1-3H3
InChIKeyLVTOFJJWEMGJEP-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 114650151) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID114650151
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCCn1ncc(Cl)c1C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H20ClN3/c1-4-19-15(13(16)9-18-19)14(17)8-12-6-5-10(2)11(3)7-12/h5-7,9,14H,4,8,17H2,1-3H3
InChIKeyLVTOFJJWEMGJEP-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine (CID 114650151) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine is CCn1ncc(Cl)c1C(N)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is LVTOFJJWEMGJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-19-15(13(16)9-18-19)14(17)8-12-6-5-10(2)11(3)7-12/h5-7,9,14H,4,8,17H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.42, 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-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 114650151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).