N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide

C8H14N4O — CID 104592680

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1nn(C)cc1CN
InChIInChI=1S/C8H14N4O/c1-3-7(13)10-8-6(4-9)5-12(2)11-8/h5H,3-4,9H2,1-2H3,(H,10,11,13)
InChIKeyPZLDVGDGBIMMNG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.23
Rot. Bonds3

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide (PubChem CID 104592680) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
PubChem CID104592680
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1nn(C)cc1CN
InChIInChI=1S/C8H14N4O/c1-3-7(13)10-8-6(4-9)5-12(2)11-8/h5H,3-4,9H2,1-2H3,(H,10,11,13)
InChIKeyPZLDVGDGBIMMNG-UHFFFAOYSA-N
XLogP0.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 104592838
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
CID 102921219
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
CID 113430305
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylimidazole-4-carboxamide
CID 103510244
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 104592748
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 104592707
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 104593006
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040762

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide (CID 104592680) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide is CCC(=O)Nc1nn(C)cc1CN.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide?
The InChIKey is PZLDVGDGBIMMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-7(13)10-8-6(4-9)5-12(2)11-8/h5H,3-4,9H2,1-2H3,(H,10,11,13).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 104592680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).