1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

C13H15Cl2N3 — CID 81492094

IUPAC1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H15Cl2N3/c1-3-18-8-10(7-17-18)13(16-2)9-4-5-11(14)12(15)6-9/h4-8,13,16H,3H2,1-2H3
InChIKeyAIPMYYLJMNAADU-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.52
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 81492094) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID81492094
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H15Cl2N3/c1-3-18-8-10(7-17-18)13(16-2)9-4-5-11(14)12(15)6-9/h4-8,13,16H,3H2,1-2H3
InChIKeyAIPMYYLJMNAADU-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 55181977
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289852
N-[(3-chloro-4-iodophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103214759
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 114659130
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115815335
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
[(3,4-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289747
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (CID 81492094) is 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(C(NC)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is AIPMYYLJMNAADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-18-8-10(7-17-18)13(16-2)9-4-5-11(14)12(15)6-9/h4-8,13,16H,3H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 81492094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).