2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine

C15H19Cl2N3 — CID 114647354

IUPAC2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
SMILESCCCn1ncc(Cl)c1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C15H19Cl2N3/c1-3-8-20-15(13(17)10-19-20)14(18-2)9-11-4-6-12(16)7-5-11/h4-7,10,14,18H,3,8-9H2,1-2H3
InChIKeyPRYYHAUAUOUWRI-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine

2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine (PubChem CID 114647354) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
PubChem CID114647354
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
SMILESCCCn1ncc(Cl)c1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C15H19Cl2N3/c1-3-8-20-15(13(17)10-19-20)14(18-2)9-11-4-6-12(16)7-5-11/h4-7,10,14,18H,3,8-9H2,1-2H3
InChIKeyPRYYHAUAUOUWRI-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
[1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211289
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105042448
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647095
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197611
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)-N-methylethanamine
CID 114647359
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 105046655
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 114647656
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine (CID 114647354) is 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine is CCCn1ncc(Cl)c1C(Cc1ccc(Cl)cc1)NC.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is PRYYHAUAUOUWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-8-20-15(13(17)10-19-20)14(18-2)9-11-4-6-12(16)7-5-11/h4-7,10,14,18H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 312.24 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114647354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).