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

C8H14N4O — CID 22754929

IUPAC2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide
SMILESNCC(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C8H14N4O/c9-4-8(13)10-3-1-2-7-5-11-12-6-7/h5-6H,1-4,9H2,(H,10,13)(H,11,12)
InChIKeyIWFZRWGENBFXFH-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.58
Rot. Bonds5

About 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide

2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 22754929) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide
PubChem CID22754929
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide
SMILESNCC(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C8H14N4O/c9-4-8(13)10-3-1-2-7-5-11-12-6-7/h5-6H,1-4,9H2,(H,10,13)(H,11,12)
InChIKeyIWFZRWGENBFXFH-UHFFFAOYSA-N
XLogP-0.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.58
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 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide (CID 22754929) is 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide is NCC(=O)NCCCc1cn[nH]c1.
What is the InChIKey of 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is IWFZRWGENBFXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-4-8(13)10-3-1-2-7-5-11-12-6-7/h5-6H,1-4,9H2,(H,10,13)(H,11,12).
What are the key properties of 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide?
2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 22754929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).