1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine

C12H16N4 — CID 105148769

IUPAC1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCn1nccc1C(N)CCc1ccncc1
InChIInChI=1S/C12H16N4/c1-16-12(6-9-15-16)11(13)3-2-10-4-7-14-8-5-10/h4-9,11H,2-3,13H2,1H3
InChIKeyQKOLWNJXILAUCF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.45
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine

1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105148769) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105148769
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCn1nccc1C(N)CCc1ccncc1
InChIInChI=1S/C12H16N4/c1-16-12(6-9-15-16)11(13)3-2-10-4-7-14-8-5-10/h4-9,11H,2-3,13H2,1H3
InChIKeyQKOLWNJXILAUCF-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963722
2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960986
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012064
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
CID 125424019
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine (CID 105148769) is 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine is Cn1nccc1C(N)CCc1ccncc1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is QKOLWNJXILAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-12(6-9-15-16)11(13)3-2-10-4-7-14-8-5-10/h4-9,11H,2-3,13H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine?
1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105148769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).