N-pyrazol-1-ylpropanamide

C6H9N3O — CID 68996776

IUPACN-pyrazol-1-ylpropanamide
SMILESCCC(=O)Nn1cccn1
InChIInChI=1S/C6H9N3O/c1-2-6(10)8-9-5-3-4-7-9/h3-5H,2H2,1H3,(H,8,10)
InChIKeyBTRLEUASKSNEBV-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.36
Rot. Bonds2

About N-pyrazol-1-ylpropanamide

N-pyrazol-1-ylpropanamide (PubChem CID 68996776) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-pyrazol-1-ylpropanamide
PubChem CID68996776
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-pyrazol-1-ylpropanamide
SMILESCCC(=O)Nn1cccn1
InChIInChI=1S/C6H9N3O/c1-2-6(10)8-9-5-3-4-7-9/h3-5H,2H2,1H3,(H,8,10)
InChIKeyBTRLEUASKSNEBV-UHFFFAOYSA-N
XLogP0.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole propionic acid
CID 19797570
1-Ureidopyrazole
CID 19911942
Pyrazole acetic acid
CID 22217988
Pyrazolium acetate
CID 129693330
Pyrazole-semicarbazide
CID 141079323
2,2,2-trifluoro-N-pyrazol-1-ylacetamide
CID 87551020
N-1H-pyrazol-1-ylformamide
CID 638906
N-ethylpyrazol-1-amine
CID 15129838
N-1H-Pyrazol-1-ylacetamide
CID 21586934
Pyrazolylselanyl acetamide
CID 129883272
N-propylpyrazol-1-amine
CID 20224864
N-acetyl-N-pyrazol-1-ylacetamide
CID 20453871

Frequently Asked Questions

What is the IUPAC name of N-pyrazol-1-ylpropanamide?
The IUPAC name of N-pyrazol-1-ylpropanamide (CID 68996776) is N-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-pyrazol-1-ylpropanamide?
The canonical SMILES for N-pyrazol-1-ylpropanamide is CCC(=O)Nn1cccn1.
What is the InChIKey of N-pyrazol-1-ylpropanamide?
The InChIKey is BTRLEUASKSNEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-6(10)8-9-5-3-4-7-9/h3-5H,2H2,1H3,(H,8,10).
What are the key properties of N-pyrazol-1-ylpropanamide?
N-pyrazol-1-ylpropanamide has a molecular weight of 139.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazol-1-ylpropanamide is sourced from PubChem (CID 68996776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).