1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine

C12H13Cl2N3 — CID 84617873

IUPAC1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2cc(Cl)ccc2Cl)nc1C
InChIInChI=1S/C12H13Cl2N3/c1-8-9(6-15-2)7-17(16-8)12-5-10(13)3-4-11(12)14/h3-5,7,15H,6H2,1-2H3
InChIKeyFSKRUUYMDAWGGR-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.21
Rot. Bonds3

About 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine

1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 84617873) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
PubChem CID84617873
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2cc(Cl)ccc2Cl)nc1C
InChIInChI=1S/C12H13Cl2N3/c1-8-9(6-15-2)7-17(16-8)12-5-10(13)3-4-11(12)14/h3-5,7,15H,6H2,1-2H3
InChIKeyFSKRUUYMDAWGGR-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]acetonitrile
CID 116817820
1-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84615124
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
CID 84614934
1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548
1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854301
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66155915
N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
CID 84615113
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine (CID 84617873) is 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2cc(Cl)ccc2Cl)nc1C.
What is the InChIKey of 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is FSKRUUYMDAWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-8-9(6-15-2)7-17(16-8)12-5-10(13)3-4-11(12)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 270.16 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 84617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).