2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide

C10H18N4O2 — CID 60783044

IUPAC2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1ccc(N)n1
InChIInChI=1S/C10H18N4O2/c1-8(14-6-4-9(11)13-14)10(15)12-5-3-7-16-2/h4,6,8H,3,5,7H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyQFDCHROIJOTTEM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.18
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide

2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 60783044) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
PubChem CID60783044
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1ccc(N)n1
InChIInChI=1S/C10H18N4O2/c1-8(14-6-4-9(11)13-14)10(15)12-5-3-7-16-2/h4,6,8H,3,5,7H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyQFDCHROIJOTTEM-UHFFFAOYSA-N
XLogP0.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 60783024
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537121
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82882044
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 107109733
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
ethyl 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate
CID 103105166
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide (CID 60783044) is 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)n1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is QFDCHROIJOTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(14-6-4-9(11)13-14)10(15)12-5-3-7-16-2/h4,6,8H,3,5,7H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 226.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60783044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).