1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C11H13FN4 — CID 104738299

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1ccncc1F
InChIInChI=1S/C11H13FN4/c1-13-11(10-4-6-16(2)15-10)8-3-5-14-7-9(8)12/h3-7,11,13H,1-2H3
InChIKeyCCIVOCVAIWCOFA-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 104738299) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID104738299
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1ccncc1F
InChIInChI=1S/C11H13FN4/c1-13-11(10-4-6-16(2)15-10)8-3-5-14-7-9(8)12/h3-7,11,13H,1-2H3
InChIKeyCCIVOCVAIWCOFA-UHFFFAOYSA-N
XLogP1.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
1-(2,5-dimethylpyrazol-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105182032
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114030303
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105038078
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
CID 103131221
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 104738299) is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CNC(c1ccn(C)n1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is CCIVOCVAIWCOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-13-11(10-4-6-16(2)15-10)8-3-5-14-7-9(8)12/h3-7,11,13H,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 220.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 104738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).