N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

C13H25N3 — CID 62441752

IUPACN-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCCCNCCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3/c1-6-8-14-9-7-10(2)16-13(5)11(3)12(4)15-16/h10,14H,6-9H2,1-5H3
InChIKeyRUUKAWPXMRXJGP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds6

About N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (PubChem CID 62441752) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
PubChem CID62441752
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCCCNCCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3/c1-6-8-14-9-7-10(2)16-13(5)11(3)12(4)15-16/h10,14H,6-9H2,1-5H3
InChIKeyRUUKAWPXMRXJGP-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.76
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-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (CID 62441752) is N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is CCCNCCC(C)n1nc(C)c(C)c1C.
What is the InChIKey of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The InChIKey is RUUKAWPXMRXJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-14-9-7-10(2)16-13(5)11(3)12(4)15-16/h10,14H,6-9H2,1-5H3.
What are the key properties of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62441752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).