3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C9H16N4O2 — CID 106112236

IUPAC3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCOC(CN)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C9H16N4O2/c1-6-7(5-12-13-6)4-11-9(14)8(3-10)15-2/h5,8H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyYGKXULNSYVOMEJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.69
Rot. Bonds5

About 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 106112236) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID106112236
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCOC(CN)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C9H16N4O2/c1-6-7(5-12-13-6)4-11-9(14)8(3-10)15-2/h5,8H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyYGKXULNSYVOMEJ-UHFFFAOYSA-N
XLogP-0.69
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
CID 103310272
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 113279847
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
CID 61021792
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 106112236) is 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is COC(CN)C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is YGKXULNSYVOMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-7(5-12-13-6)4-11-9(14)8(3-10)15-2/h5,8H,3-4,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 106112236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).