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

C13H18N4 — CID 106907352

IUPACN-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cn2cccn2)n1
InChIInChI=1S/C13H18N4/c1-11(2)14-9-12-5-3-6-13(16-12)10-17-8-4-7-15-17/h3-8,11,14H,9-10H2,1-2H3
InChIKeySCQFUBYZVHEHLT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.82
Rot. Bonds5

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

N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106907352) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID106907352
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cn2cccn2)n1
InChIInChI=1S/C13H18N4/c1-11(2)14-9-12-5-3-6-13(16-12)10-17-8-4-7-15-17/h3-8,11,14H,9-10H2,1-2H3
InChIKeySCQFUBYZVHEHLT-UHFFFAOYSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907434
N-[[6-[(2-propylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907451
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
N-propyl-6-(pyrazol-1-ylmethyl)pyridin-2-amine
CID 79232077
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906796
N-[[6-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905866
N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906683
N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114824
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
CID 106905796

Frequently Asked Questions

What is the IUPAC name of N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine (CID 106907352) is N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(Cn2cccn2)n1.
What is the InChIKey of N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is SCQFUBYZVHEHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(2)14-9-12-5-3-6-13(16-12)10-17-8-4-7-15-17/h3-8,11,14H,9-10H2,1-2H3.
What are the key properties of N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106907352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).