N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C15H27N5O2 — CID 119571531

IUPACN-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCCC(CC)(CN)NC(=O)CN(C)C(=O)C(C)n1cccn1
InChIInChI=1S/C15H27N5O2/c1-5-15(6-2,11-16)18-13(21)10-19(4)14(22)12(3)20-9-7-8-17-20/h7-9,12H,5-6,10-11,16H2,1-4H3,(H,18,21)
InChIKeyQAYHOUWESMNWNO-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.54
Rot. Bonds8

About N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 119571531) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID119571531
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCCC(CC)(CN)NC(=O)CN(C)C(=O)C(C)n1cccn1
InChIInChI=1S/C15H27N5O2/c1-5-15(6-2,11-16)18-13(21)10-19(4)14(22)12(3)20-9-7-8-17-20/h7-9,12H,5-6,10-11,16H2,1-4H3,(H,18,21)
InChIKeyQAYHOUWESMNWNO-UHFFFAOYSA-N
XLogP0.54
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 119571531) is N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is CCC(CC)(CN)NC(=O)CN(C)C(=O)C(C)n1cccn1.
What is the InChIKey of N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is QAYHOUWESMNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-5-15(6-2,11-16)18-13(21)10-19(4)14(22)12(3)20-9-7-8-17-20/h7-9,12H,5-6,10-11,16H2,1-4H3,(H,18,21).
What are the key properties of N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 309.41 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119571531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).