N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C15H19Cl2N3 — CID 63963522

IUPACN-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)c1ccnn1C
InChIInChI=1S/C15H19Cl2N3/c1-3-8-18-14(15-7-9-19-20(15)2)10-11-12(16)5-4-6-13(11)17/h4-7,9,14,18H,3,8,10H2,1-2H3
InChIKeyCKUAVXIBBAMHFL-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 63963522) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID63963522
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)c1ccnn1C
InChIInChI=1S/C15H19Cl2N3/c1-3-8-18-14(15-7-9-19-20(15)2)10-11-12(16)5-4-6-13(11)17/h4-7,9,14,18H,3,8,10H2,1-2H3
InChIKeyCKUAVXIBBAMHFL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106462247
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 63963522) is N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)cccc1Cl)c1ccnn1C.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is CKUAVXIBBAMHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-8-18-14(15-7-9-19-20(15)2)10-11-12(16)5-4-6-13(11)17/h4-7,9,14,18H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63963522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).