1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine

C12H12Cl2FN3 — CID 114651089

IUPAC1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1c(Cl)cnn1C
InChIInChI=1S/C12H12Cl2FN3/c1-16-11(12-9(14)6-17-18(12)2)8-4-3-7(13)5-10(8)15/h3-6,11,16H,1-2H3
InChIKeyYGLMEZHQNUXZEP-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114651089) has the molecular formula C12H12Cl2FN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114651089
Molecular FormulaC12H12Cl2FN3
Molecular Weight288.15 g/mol
Exact Mass287.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1c(Cl)cnn1C
InChIInChI=1S/C12H12Cl2FN3/c1-16-11(12-9(14)6-17-18(12)2)8-4-3-7(13)5-10(8)15/h3-6,11,16H,1-2H3
InChIKeyYGLMEZHQNUXZEP-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine
CID 114659233
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903595
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046623
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 114659101
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 114651089) is 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1F)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is YGLMEZHQNUXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN3/c1-16-11(12-9(14)6-17-18(12)2)8-4-3-7(13)5-10(8)15/h3-6,11,16H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 288.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114651089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).