1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine

C15H22N4 — CID 105158645

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1cc(C)nn1C
InChIInChI=1S/C15H22N4/c1-12-10-15(19(3)18-12)11-14(16-2)8-7-13-6-4-5-9-17-13/h4-6,9-10,14,16H,7-8,11H2,1-3H3
InChIKeyFJIPQAWUUYSDKZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.89
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105158645) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105158645
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1cc(C)nn1C
InChIInChI=1S/C15H22N4/c1-12-10-15(19(3)18-12)11-14(16-2)8-7-13-6-4-5-9-17-13/h4-6,9-10,14,16H,7-8,11H2,1-3H3
InChIKeyFJIPQAWUUYSDKZ-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine (CID 105158645) is 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine is CNC(CCc1ccccn1)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is FJIPQAWUUYSDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-10-15(19(3)18-12)11-14(16-2)8-7-13-6-4-5-9-17-13/h4-6,9-10,14,16H,7-8,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105158645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).