3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine

C15H22N4 — CID 115571467

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCc1cc(C)n(CCCNCCc2ccccn2)n1
InChIInChI=1S/C15H22N4/c1-13-12-14(2)19(18-13)11-5-8-16-10-7-15-6-3-4-9-17-15/h3-4,6,9,12,16H,5,7-8,10-11H2,1-2H3
InChIKeyKMCXPFKUOKSAGB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.12
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine (PubChem CID 115571467) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
PubChem CID115571467
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCc1cc(C)n(CCCNCCc2ccccn2)n1
InChIInChI=1S/C15H22N4/c1-13-12-14(2)19(18-13)11-5-8-16-10-7-15-6-3-4-9-17-15/h3-4,6,9,12,16H,5,7-8,10-11H2,1-2H3
InChIKeyKMCXPFKUOKSAGB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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

3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111280527
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
CID 114536533
2-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 95761539
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
N-[(6-chloro-3-pyridinyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78840554

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine (CID 115571467) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine is Cc1cc(C)n(CCCNCCc2ccccn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is KMCXPFKUOKSAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13-12-14(2)19(18-13)11-5-8-16-10-7-15-6-3-4-9-17-15/h3-4,6,9,12,16H,5,7-8,10-11H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 115571467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).