N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine

C16H21Cl2N3 — CID 105142319

IUPACN-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1cc(CC)nn1C
InChIInChI=1S/C16H21Cl2N3/c1-4-8-19-16(13-9-11(17)6-7-14(13)18)15-10-12(5-2)20-21(15)3/h6-7,9-10,16,19H,4-5,8H2,1-3H3
InChIKeyVEIWHOQKLOOPMK-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.38
Rot. Bonds6

About N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine

N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105142319) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID105142319
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC NameN-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1cc(CC)nn1C
InChIInChI=1S/C16H21Cl2N3/c1-4-8-19-16(13-9-11(17)6-7-14(13)18)15-10-12(5-2)20-21(15)3/h6-7,9-10,16,19H,4-5,8H2,1-3H3
InChIKeyVEIWHOQKLOOPMK-UHFFFAOYSA-N
XLogP4.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(3-ethyl-1-methylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104032
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150113
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(2-chloro-5-fluorophenyl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 105395429
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106657172
N-[(5-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858618

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine (CID 105142319) is N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1cc(Cl)ccc1Cl)c1cc(CC)nn1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is VEIWHOQKLOOPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-4-8-19-16(13-9-11(17)6-7-14(13)18)15-10-12(5-2)20-21(15)3/h6-7,9-10,16,19H,4-5,8H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 326.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105142319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).