N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide

C9H16N4O — CID 83617756

IUPACN-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
SMILESCc1[nH]ncc1CC(=O)NCCCN
InChIInChI=1S/C9H16N4O/c1-7-8(6-12-13-7)5-9(14)11-4-2-3-10/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyAUYMQLYDCRGDEM-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.27
Rot. Bonds5

About N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide

N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide (PubChem CID 83617756) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
PubChem CID83617756
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
SMILESCc1[nH]ncc1CC(=O)NCCCN
InChIInChI=1S/C9H16N4O/c1-7-8(6-12-13-7)5-9(14)11-4-2-3-10/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyAUYMQLYDCRGDEM-UHFFFAOYSA-N
XLogP-0.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
CID 61021792
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62038180
1-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclopentane-1-carboxamide
CID 62038572
N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
CID 83617752
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62038992
2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
CID 110836972

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide (CID 83617756) is N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide is Cc1[nH]ncc1CC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is AUYMQLYDCRGDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(6-12-13-7)5-9(14)11-4-2-3-10/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide?
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 83617756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).