1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine

C11H12ClFN4 — CID 114659233

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ncccc1F)c1c(Cl)cnn1C
InChIInChI=1S/C11H12ClFN4/c1-14-10(9-8(13)4-3-5-15-9)11-7(12)6-16-17(11)2/h3-6,10,14H,1-2H3
InChIKeyXHUVKWYAWIHYKP-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 114659233) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID114659233
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ncccc1F)c1c(Cl)cnn1C
InChIInChI=1S/C11H12ClFN4/c1-14-10(9-8(13)4-3-5-15-9)11-7(12)6-16-17(11)2/h3-6,10,14H,1-2H3
InChIKeyXHUVKWYAWIHYKP-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645125
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chloro-2-pyridinyl)-N-methylmethanamine
CID 103444104
[(4-chloro-1-methylpyrazol-5-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203738
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105185977
1-(4-chloro-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105186116
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046623
[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252513

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine (CID 114659233) is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine is CNC(c1ncccc1F)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is XHUVKWYAWIHYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-14-10(9-8(13)4-3-5-15-9)11-7(12)6-16-17(11)2/h3-6,10,14H,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 254.70 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114659233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).