propanamide;1H-pyrazole

C6H11N3O — CID 67830541

IUPACpropanamide;1H-pyrazole
SMILESCCC(N)=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H7NO/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H2,4,5)
InChIKeyDVWSOSUYIBJUKF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.29
Rot. Bonds1

About propanamide;1H-pyrazole

propanamide;1H-pyrazole (PubChem CID 67830541) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is propanamide;1H-pyrazole.

Molecular Properties

Compound Namepropanamide;1H-pyrazole
PubChem CID67830541
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Namepropanamide;1H-pyrazole
SMILESCCC(N)=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H7NO/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H2,4,5)
InChIKeyDVWSOSUYIBJUKF-UHFFFAOYSA-N
XLogP0.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanamide;1H-pyrazole?
The IUPAC name of propanamide;1H-pyrazole (CID 67830541) is propanamide;1H-pyrazole.
What is the SMILES notation for propanamide;1H-pyrazole?
The canonical SMILES for propanamide;1H-pyrazole is CCC(N)=O.c1cn[nH]c1.
What is the InChIKey of propanamide;1H-pyrazole?
The InChIKey is DVWSOSUYIBJUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H7NO/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H2,4,5).
What are the key properties of propanamide;1H-pyrazole?
propanamide;1H-pyrazole has a molecular weight of 141.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;1H-pyrazole is sourced from PubChem (CID 67830541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).