N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C13H15Cl2N3 — CID 43492483

IUPACN-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1cnn(C)c1
InChIInChI=1S/C13H15Cl2N3/c1-3-16-13(10-7-17-18(2)8-10)9-4-11(14)6-12(15)5-9/h4-8,13,16H,3H2,1-2H3
InChIKeyVHGVSCOWWAMGFC-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.43
Rot. Bonds4

About N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43492483) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID43492483
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1cnn(C)c1
InChIInChI=1S/C13H15Cl2N3/c1-3-16-13(10-7-17-18(2)8-10)9-4-11(14)6-12(15)5-9/h4-8,13,16H,3H2,1-2H3
InChIKeyVHGVSCOWWAMGFC-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113337190
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106691547
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808897
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
N-[(3,5-dibromo-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113398631
N-[(2-bromo-6-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114269044

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 43492483) is N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Cl)c1)c1cnn(C)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is VHGVSCOWWAMGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-16-13(10-7-17-18(2)8-10)9-4-11(14)6-12(15)5-9/h4-8,13,16H,3H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43492483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).