3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide

C9H16N4O — CID 22754936

IUPAC3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide
SMILESNCCC(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c10-4-3-9(14)11-5-1-2-8-6-12-13-7-8/h6-7H,1-5,10H2,(H,11,14)(H,12,13)
InChIKeyLAAFSPKVDLVILY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.19
Rot. Bonds6

About 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide

3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide (PubChem CID 22754936) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide
PubChem CID22754936
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide
SMILESNCCC(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c10-4-3-9(14)11-5-1-2-8-6-12-13-7-8/h6-7H,1-5,10H2,(H,11,14)(H,12,13)
InChIKeyLAAFSPKVDLVILY-UHFFFAOYSA-N
XLogP-0.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide (CID 22754936) is 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide is NCCC(=O)NCCCc1cn[nH]c1.
What is the InChIKey of 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide?
The InChIKey is LAAFSPKVDLVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-4-3-9(14)11-5-1-2-8-6-12-13-7-8/h6-7H,1-5,10H2,(H,11,14)(H,12,13).
What are the key properties of 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide?
3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 22754936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).