N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C15H19Cl2N3 — CID 115821504

IUPACN-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-3-7-18-14(8-11-9-19-20(2)10-11)12-5-4-6-13(16)15(12)17/h4-6,9-10,14,18H,3,7-8H2,1-2H3
InChIKeyOVPYPNFGLVRWDD-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115821504) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115821504
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-3-7-18-14(8-11-9-19-20(2)10-11)12-5-4-6-13(16)15(12)17/h4-6,9-10,14,18H,3,7-8H2,1-2H3
InChIKeyOVPYPNFGLVRWDD-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

1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 63895824
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
N-[1-(3-chloro-2-methylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 107102137
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114314
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
N-[1-(2-chloro-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822317
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 115821504) is N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is OVPYPNFGLVRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-7-18-14(8-11-9-19-20(2)10-11)12-5-4-6-13(16)15(12)17/h4-6,9-10,14,18H,3,7-8H2,1-2H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-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-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115821504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).