ethane;N-(1H-pyrazol-5-yl)formamide

C6H11N3O — CID 145301120

IUPACethane;N-(1H-pyrazol-5-yl)formamide
SMILESCC.O=CNc1ccn[nH]1
InChIInChI=1S/C4H5N3O.C2H6/c8-3-5-4-1-2-6-7-4;1-2/h1-3H,(H2,5,6,7,8);1-2H3
InChIKeyQWWAIEXVIQGZOF-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.00
Rot. Bonds2

About ethane;N-(1H-pyrazol-5-yl)formamide

ethane;N-(1H-pyrazol-5-yl)formamide (PubChem CID 145301120) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is ethane;N-(1H-pyrazol-5-yl)formamide.

Molecular Properties

Compound Nameethane;N-(1H-pyrazol-5-yl)formamide
PubChem CID145301120
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Nameethane;N-(1H-pyrazol-5-yl)formamide
SMILESCC.O=CNc1ccn[nH]1
InChIInChI=1S/C4H5N3O.C2H6/c8-3-5-4-1-2-6-7-4;1-2/h1-3H,(H2,5,6,7,8);1-2H3
InChIKeyQWWAIEXVIQGZOF-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1H-pyrazol-5-yl)formamide?
The IUPAC name of ethane;N-(1H-pyrazol-5-yl)formamide (CID 145301120) is ethane;N-(1H-pyrazol-5-yl)formamide.
What is the SMILES notation for ethane;N-(1H-pyrazol-5-yl)formamide?
The canonical SMILES for ethane;N-(1H-pyrazol-5-yl)formamide is CC.O=CNc1ccn[nH]1.
What is the InChIKey of ethane;N-(1H-pyrazol-5-yl)formamide?
The InChIKey is QWWAIEXVIQGZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C2H6/c8-3-5-4-1-2-6-7-4;1-2/h1-3H,(H2,5,6,7,8);1-2H3.
What are the key properties of ethane;N-(1H-pyrazol-5-yl)formamide?
ethane;N-(1H-pyrazol-5-yl)formamide has a molecular weight of 141.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1H-pyrazol-5-yl)formamide is sourced from PubChem (CID 145301120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).