N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine

C12H23N3 — CID 62441748

IUPACN-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
SMILESCNCCCCCn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3/c1-10-11(2)14-15(12(10)3)9-7-5-6-8-13-4/h13H,5-9H2,1-4H3
InChIKeyAYQRNYJHXZMLHK-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.20
Rot. Bonds6

About N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine

N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine (PubChem CID 62441748) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
PubChem CID62441748
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
SMILESCNCCCCCn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3/c1-10-11(2)14-15(12(10)3)9-7-5-6-8-13-4/h13H,5-9H2,1-4H3
InChIKeyAYQRNYJHXZMLHK-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine (CID 62441748) is N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine is CNCCCCCn1nc(C)c(C)c1C.
What is the InChIKey of N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
The InChIKey is AYQRNYJHXZMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10-11(2)14-15(12(10)3)9-7-5-6-8-13-4/h13H,5-9H2,1-4H3.
What are the key properties of N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 62441748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).