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

C12H22N4O2 — CID 55080724

IUPAC2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
SMILESCOCCC(N)C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C12H22N4O2/c1-9-10(8-15-16-9)4-3-6-14-12(17)11(13)5-7-18-2/h8,11H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWRPVSYXBGANXHX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.13
Rot. Bonds8

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

2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide (PubChem CID 55080724) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
PubChem CID55080724
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
SMILESCOCCC(N)C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C12H22N4O2/c1-9-10(8-15-16-9)4-3-6-14-12(17)11(13)5-7-18-2/h8,11H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWRPVSYXBGANXHX-UHFFFAOYSA-N
XLogP0.13
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62038992
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
CID 65232146
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
2-cyano-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040285
3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 81094396
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide (CID 55080724) is 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide is COCCC(N)C(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
The InChIKey is WRPVSYXBGANXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9-10(8-15-16-9)4-3-6-14-12(17)11(13)5-7-18-2/h8,11H,3-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide has a molecular weight of 254.33 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide is sourced from PubChem (CID 55080724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).