N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

C15H22N4 — CID 81253654

IUPACN-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C15H22N4/c1-5-7-16-9-14-10-17-8-6-15(14)19-13(4)11(2)12(3)18-19/h6,8,10,16H,5,7,9H2,1-4H3
InChIKeyHGAJIZAOCLUYHE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds5

About N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81253654) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81253654
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C15H22N4/c1-5-7-16-9-14-10-17-8-6-15(14)19-13(4)11(2)12(3)18-19/h6,8,10,16H,5,7,9H2,1-4H3
InChIKeyHGAJIZAOCLUYHE-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074709
4-(3,4,5-trimethylpyrazol-1-yl)pyridin-3-amine
CID 61224963
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81255287
N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81254929
N-[[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63076996
N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61272711
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81229473
N-[[4-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81246776
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81247713
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 81253654) is N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1-n1nc(C)c(C)c1C.
What is the InChIKey of N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is HGAJIZAOCLUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-7-16-9-14-10-17-8-6-15(14)19-13(4)11(2)12(3)18-19/h6,8,10,16H,5,7,9H2,1-4H3.
What are the key properties of N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81253654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).