1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

C13H17FN4 — CID 105390610

IUPAC1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(-n2nc(C)c(C)c2C)c1F
InChIInChI=1S/C13H17FN4/c1-8-9(2)17-18(10(8)3)13-12(14)11(7-15-4)5-6-16-13/h5-6,15H,7H2,1-4H3
InChIKeyNYUXLIMBHSYHFR-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.05
Rot. Bonds3

About 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105390610) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105390610
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(-n2nc(C)c(C)c2C)c1F
InChIInChI=1S/C13H17FN4/c1-8-9(2)17-18(10(8)3)13-12(14)11(7-15-4)5-6-16-13/h5-6,15H,7H2,1-4H3
InChIKeyNYUXLIMBHSYHFR-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105390531
1-(3-fluoro-2-pyrazol-1-yl-4-pyridinyl)-N-methylmethanamine
CID 105390553
N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
CID 83189032
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-(2,3-dimethyl-4-pyridinyl)-N-methylmethanamine
CID 84649447
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389603
1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390551
1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390662
1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388790
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389819
1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389757

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 105390610) is 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(-n2nc(C)c(C)c2C)c1F.
What is the InChIKey of 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is NYUXLIMBHSYHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-8-9(2)17-18(10(8)3)13-12(14)11(7-15-4)5-6-16-13/h5-6,15H,7H2,1-4H3.
What are the key properties of 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 248.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105390610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).