2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine

C15H22N4 — CID 55111261

IUPAC2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCc1cnn(-c2ccccn2)c1
InChIInChI=1S/C15H22N4/c1-13(2)10-16-8-5-6-14-11-18-19(12-14)15-7-3-4-9-17-15/h3-4,7,9,11-13,16H,5-6,8,10H2,1-2H3
InChIKeyFUKSAWHPZWHACB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.45
Rot. Bonds7

About 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine

2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine (PubChem CID 55111261) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
PubChem CID55111261
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCc1cnn(-c2ccccn2)c1
InChIInChI=1S/C15H22N4/c1-13(2)10-16-8-5-6-14-11-18-19(12-14)15-7-3-4-9-17-15/h3-4,7,9,11-13,16H,5-6,8,10H2,1-2H3
InChIKeyFUKSAWHPZWHACB-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.45
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

N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
4-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719124
N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine
CID 63859472
N-propyl-3-(1-pyrazin-2-ylpyrazol-4-yl)propan-1-amine
CID 81041509
3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65349761
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
CID 115922504
3-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]propanenitrile
CID 55111453
N-(2-methylpropyl)-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578353
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine (CID 55111261) is 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine is CC(C)CNCCCc1cnn(-c2ccccn2)c1.
What is the InChIKey of 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is FUKSAWHPZWHACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13(2)10-16-8-5-6-14-11-18-19(12-14)15-7-3-4-9-17-15/h3-4,7,9,11-13,16H,5-6,8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine?
2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 55111261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).