N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine

C13H25N3 — CID 62043193

IUPACN-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine
SMILESCCCC(Cn1nc(C)c(C)c1C)NCC
InChIInChI=1S/C13H25N3/c1-6-8-13(14-7-2)9-16-12(5)10(3)11(4)15-16/h13-14H,6-9H2,1-5H3
InChIKeyHDJJXYZHRDFBMX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine

N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine (PubChem CID 62043193) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine
PubChem CID62043193
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine
SMILESCCCC(Cn1nc(C)c(C)c1C)NCC
InChIInChI=1S/C13H25N3/c1-6-8-13(14-7-2)9-16-12(5)10(3)11(4)15-16/h13-14H,6-9H2,1-5H3
InChIKeyHDJJXYZHRDFBMX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine (CID 62043193) is N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine is CCCC(Cn1nc(C)c(C)c1C)NCC.
What is the InChIKey of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine?
The InChIKey is HDJJXYZHRDFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-13(14-7-2)9-16-12(5)10(3)11(4)15-16/h13-14H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine?
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine is sourced from PubChem (CID 62043193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).