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

C11H14N4 — CID 105074738

IUPACN-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1-n1ccc(C)n1
InChIInChI=1S/C11H14N4/c1-9-4-6-15(14-9)11-8-13-5-3-10(11)7-12-2/h3-6,8,12H,7H2,1-2H3
InChIKeyNMCUUMIFFAXWTG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.30
Rot. Bonds3

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

N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 105074738) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID105074738
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1-n1ccc(C)n1
InChIInChI=1S/C11H14N4/c1-9-4-6-15(14-9)11-8-13-5-3-10(11)7-12-2/h3-6,8,12H,7H2,1-2H3
InChIKeyNMCUUMIFFAXWTG-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine (CID 105074738) is N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine is CNCc1ccncc1-n1ccc(C)n1.
What is the InChIKey of N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is NMCUUMIFFAXWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-6-15(14-9)11-8-13-5-3-10(11)7-12-2/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 105074738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).