1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine

C15H20ClN3 — CID 114649334

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)Cc1ccc(C)cc1
InChIInChI=1S/C15H20ClN3/c1-3-8-19-15(13(16)10-18-19)14(17)9-12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9,17H2,1-2H3
InChIKeyYBKMBZJSBCELFA-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 114649334) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
PubChem CID114649334
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)Cc1ccc(C)cc1
InChIInChI=1S/C15H20ClN3/c1-3-8-19-15(13(16)10-18-19)14(17)9-12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9,17H2,1-2H3
InChIKeyYBKMBZJSBCELFA-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211289
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
CID 114656223
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine (CID 114649334) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine is CCCn1ncc(Cl)c1C(N)Cc1ccc(C)cc1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is YBKMBZJSBCELFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-8-19-15(13(16)10-18-19)14(17)9-12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9,17H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114649334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).