1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine

C17H17FN4 — CID 71710904

IUPAC1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3
InChIKeyUEPOHWWKVBWCFV-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine

1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 71710904) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine
PubChem CID71710904
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3
InChIKeyUEPOHWWKVBWCFV-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
Nerispirdine
CID 3081185
GW-6604
CID 9861063
3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
CID 9881352
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine (CID 71710904) is 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine is CNCc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is UEPOHWWKVBWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine?
1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 296.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 71710904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).