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

C11H12ClFN4 — CID 145121358

IUPAC1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(-c2cc(Cl)ncc2F)cnn1C
InChIInChI=1S/C11H12ClFN4/c1-14-6-10-8(4-16-17(10)2)7-3-11(12)15-5-9(7)13/h3-5,14H,6H2,1-2H3
InChIKeyQOILRAXNSQCOMP-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.99
Rot. Bonds3

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

1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine (PubChem CID 145121358) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine
PubChem CID145121358
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(-c2cc(Cl)ncc2F)cnn1C
InChIInChI=1S/C11H12ClFN4/c1-14-6-10-8(4-16-17(10)2)7-3-11(12)15-5-9(7)13/h3-5,14H,6H2,1-2H3
InChIKeyQOILRAXNSQCOMP-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45268355
4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 51588297
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16187592
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
CID 16188430
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16192055
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
CID 78225409
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine (CID 145121358) is 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine is CNCc1c(-c2cc(Cl)ncc2F)cnn1C.
What is the InChIKey of 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine?
The InChIKey is QOILRAXNSQCOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-14-6-10-8(4-16-17(10)2)7-3-11(12)15-5-9(7)13/h3-5,14H,6H2,1-2H3.
What are the key properties of 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine?
1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine has a molecular weight of 254.70 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-5-fluoro-4-pyridinyl)-1-methylpyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 145121358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).