1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine

C14H16Cl3N3 — CID 114647656

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
SMILESCCn1ncc(Cl)c1C(Cc1ccc(Cl)cc1Cl)NC
InChIInChI=1S/C14H16Cl3N3/c1-3-20-14(12(17)8-19-20)13(18-2)6-9-4-5-10(15)7-11(9)16/h4-5,7-8,13,18H,3,6H2,1-2H3
InChIKeyNKTJDQMYKNXKOF-UHFFFAOYSA-N
MW332.66 g/mol
LogP4.37
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine (PubChem CID 114647656) has the molecular formula C14H16Cl3N3 and a molecular weight of 332.66 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
PubChem CID114647656
Molecular FormulaC14H16Cl3N3
Molecular Weight332.66 g/mol
Exact Mass331.04
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
SMILESCCn1ncc(Cl)c1C(Cc1ccc(Cl)cc1Cl)NC
InChIInChI=1S/C14H16Cl3N3/c1-3-20-14(12(17)8-19-20)13(18-2)6-9-4-5-10(15)7-11(9)16/h4-5,7-8,13,18H,3,6H2,1-2H3
InChIKeyNKTJDQMYKNXKOF-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.66
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105040483
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 114647661
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanyl-N-methylethanamine
CID 114656283
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 114652982
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105042448
1-(4-chloro-1-ethylpyrazol-5-yl)-3-ethoxy-N-methylpropan-1-amine
CID 105183166
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine (CID 114647656) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine is CCn1ncc(Cl)c1C(Cc1ccc(Cl)cc1Cl)NC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is NKTJDQMYKNXKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3N3/c1-3-20-14(12(17)8-19-20)13(18-2)6-9-4-5-10(15)7-11(9)16/h4-5,7-8,13,18H,3,6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine has a molecular weight of 332.66 g/mol, XLogP of 4.37, 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-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 114647656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).