1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine

C15H22N4 — CID 105154923

IUPAC1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCC(C)n1ccc(CC(N)CCc2ccccn2)n1
InChIInChI=1S/C15H22N4/c1-12(2)19-10-8-15(18-19)11-13(16)6-7-14-5-3-4-9-17-14/h3-5,8-10,12-13H,6-7,11,16H2,1-2H3
InChIKeyVPZHMQYLXDQLTF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.36
Rot. Bonds6

About 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine

1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine (PubChem CID 105154923) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
PubChem CID105154923
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCC(C)n1ccc(CC(N)CCc2ccccn2)n1
InChIInChI=1S/C15H22N4/c1-12(2)19-10-8-15(18-19)11-13(16)6-7-14-5-3-4-9-17-14/h3-5,8-10,12-13H,6-7,11,16H2,1-2H3
InChIKeyVPZHMQYLXDQLTF-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
[1-(1-methylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-yl]hydrazine
CID 105329556
1-ethoxy-4-pyridin-2-ylbutan-2-amine
CID 105165178
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
4-amino-5-pyridin-2-ylpentan-1-ol
CID 175131878
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
3-amino-5-pyridin-2-ylpentanamide
CID 154265454

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine (CID 105154923) is 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine is CC(C)n1ccc(CC(N)CCc2ccccn2)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The InChIKey is VPZHMQYLXDQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)19-10-8-15(18-19)11-13(16)6-7-14-5-3-4-9-17-14/h3-5,8-10,12-13H,6-7,11,16H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105154923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).