N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide

C11H20N4O — CID 63889355

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide
SMILESCCC(CC)(CN)NC(=O)Cn1cccn1
InChIInChI=1S/C11H20N4O/c1-3-11(4-2,9-12)14-10(16)8-15-7-5-6-13-15/h5-7H,3-4,8-9,12H2,1-2H3,(H,14,16)
InChIKeyZWZCCTAKRGVPIJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide

N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide (PubChem CID 63889355) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide
PubChem CID63889355
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide
SMILESCCC(CC)(CN)NC(=O)Cn1cccn1
InChIInChI=1S/C11H20N4O/c1-3-11(4-2,9-12)14-10(16)8-15-7-5-6-13-15/h5-7H,3-4,8-9,12H2,1-2H3,(H,14,16)
InChIKeyZWZCCTAKRGVPIJ-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119571531
N-[1-(aminomethyl)cyclopentyl]-2-pyrazol-1-ylacetamide;dihydrochloride
CID 119567226
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
CID 63887570
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 81090478
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
N-[(2-methylpyrrolidin-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 114761752

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide (CID 63889355) is N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide is CCC(CC)(CN)NC(=O)Cn1cccn1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is ZWZCCTAKRGVPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-11(4-2,9-12)14-10(16)8-15-7-5-6-13-15/h5-7H,3-4,8-9,12H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 63889355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).