5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine

C14H26N4 — CID 66027460

IUPAC5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCCC(C)C1C
InChIInChI=1S/C14H26N4/c1-5-8-18-14(13(15)11(3)16-18)17-9-6-7-10(2)12(17)4/h10,12H,5-9,15H2,1-4H3
InChIKeyVKJFPXQQVAFGKW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds3

About 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine

5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 66027460) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
PubChem CID66027460
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCCC(C)C1C
InChIInChI=1S/C14H26N4/c1-5-8-18-14(13(15)11(3)16-18)17-9-6-7-10(2)12(17)4/h10,12H,5-9,15H2,1-4H3
InChIKeyVKJFPXQQVAFGKW-UHFFFAOYSA-N
XLogP2.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine (CID 66027460) is 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1N1CCCC(C)C1C.
What is the InChIKey of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is VKJFPXQQVAFGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-18-14(13(15)11(3)16-18)17-9-6-7-10(2)12(17)4/h10,12H,5-9,15H2,1-4H3.
What are the key properties of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine?
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66027460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).