2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine

C13H18N4 — CID 55059602

IUPAC2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(-n2cccn2)n1
InChIInChI=1S/C13H18N4/c1-13(2,3)14-10-11-6-4-7-12(16-11)17-9-5-8-15-17/h4-9,14H,10H2,1-3H3
InChIKeyUWSGDWLFCGBBJZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine

2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine (PubChem CID 55059602) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine
PubChem CID55059602
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(-n2cccn2)n1
InChIInChI=1S/C13H18N4/c1-13(2,3)14-10-11-6-4-7-12(16-11)17-9-5-8-15-17/h4-9,14H,10H2,1-3H3
InChIKeyUWSGDWLFCGBBJZ-UHFFFAOYSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine (CID 55059602) is 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine is CC(C)(C)NCc1cccc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is UWSGDWLFCGBBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)14-10-11-6-4-7-12(16-11)17-9-5-8-15-17/h4-9,14H,10H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine?
2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 55059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).