1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine

C14H20N4 — CID 80521039

IUPAC1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCCCCCc1nn(C)c(N)c1-c1ccccn1
InChIInChI=1S/C14H20N4/c1-3-4-5-9-12-13(14(15)18(2)17-12)11-8-6-7-10-16-11/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeySSWQLXLDWZKBSE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds5

About 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine

1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521039) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521039
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCCCCCc1nn(C)c(N)c1-c1ccccn1
InChIInChI=1S/C14H20N4/c1-3-4-5-9-12-13(14(15)18(2)17-12)11-8-6-7-10-16-11/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeySSWQLXLDWZKBSE-UHFFFAOYSA-N
XLogP2.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine (CID 80521039) is 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine is CCCCCc1nn(C)c(N)c1-c1ccccn1.
What is the InChIKey of 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is SSWQLXLDWZKBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-4-5-9-12-13(14(15)18(2)17-12)11-8-6-7-10-16-11/h6-8,10H,3-5,9,15H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine?
1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).