oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)

C14H17N5O2 — CID 173493478

IUPACoxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)
SMILESNC(=O)c1ccn[nH]1.[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1
InChIInChI=1S/2C5H5N.C4H5N3O.O/c2*1-2-4-6-5-3-1;5-4(8)3-1-2-6-7-3;/h2*1-5H;1-2H,(H2,5,8)(H,6,7);/q;;;-2/p+2
InChIKeyYBSPWOOQHQDSOC-UHFFFAOYSA-P
MW287.32 g/mol
LogP0.39
Rot. Bonds1

About oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)

oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium) (PubChem CID 173493478) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium).

Molecular Properties

Compound Nameoxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)
PubChem CID173493478
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Nameoxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)
SMILESNC(=O)c1ccn[nH]1.[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1
InChIInChI=1S/2C5H5N.C4H5N3O.O/c2*1-2-4-6-5-3-1;5-4(8)3-1-2-6-7-3;/h2*1-5H;1-2H,(H2,5,8)(H,6,7);/q;;;-2/p+2
InChIKeyYBSPWOOQHQDSOC-UHFFFAOYSA-P
XLogP0.39
TPSA128.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrazole-5-carboxamide;hydrate
CID 172743817
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
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CID 174676859
2-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 68994792
dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
CID 158864481
copper(1+);1H-pyrazole-5-carboxylate
CID 70037114
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
copper;bis(1H-pyrazole-5-carboxylate);pyridine
CID 174826525
carboxy 1H-pyrazole-5-carboxylate
CID 154449295
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)?
The IUPAC name of oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium) (CID 173493478) is oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium).
What is the SMILES notation for oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)?
The canonical SMILES for oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium) is NC(=O)c1ccn[nH]1.[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1.
What is the InChIKey of oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)?
The InChIKey is YBSPWOOQHQDSOC-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H5N.C4H5N3O.O/c2*1-2-4-6-5-3-1;5-4(8)3-1-2-6-7-3;/h2*1-5H;1-2H,(H2,5,8)(H,6,7);/q;;;-2/p+2.
What are the key properties of oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)?
oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium) has a molecular weight of 287.32 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium) is sourced from PubChem (CID 173493478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).