sodium;3,5-dimethyl-1H-pyrazole;hydride

C5H9N2Na — CID 174789543

IUPACsodium;3,5-dimethyl-1H-pyrazole;hydride
SMILESCc1cc(C)[nH]n1.[H-].[Na+]
InChIInChI=1S/C5H8N2.Na.H/c1-4-3-5(2)7-6-4;;/h3H,1-2H3,(H,6,7);;/q;+1;-1
InChIKeyWJTNOEPDVKVNKN-UHFFFAOYSA-N
MW120.13 g/mol
LogP-1.86
Rot. Bonds

About sodium;3,5-dimethyl-1H-pyrazole;hydride

sodium;3,5-dimethyl-1H-pyrazole;hydride (PubChem CID 174789543) has the molecular formula C5H9N2Na and a molecular weight of 120.13 g/mol. Its IUPAC name is sodium;3,5-dimethyl-1H-pyrazole;hydride.

Molecular Properties

Compound Namesodium;3,5-dimethyl-1H-pyrazole;hydride
PubChem CID174789543
Molecular FormulaC5H9N2Na
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Namesodium;3,5-dimethyl-1H-pyrazole;hydride
SMILESCc1cc(C)[nH]n1.[H-].[Na+]
InChIInChI=1S/C5H8N2.Na.H/c1-4-3-5(2)7-6-4;;/h3H,1-2H3,(H,6,7);;/q;+1;-1
InChIKeyWJTNOEPDVKVNKN-UHFFFAOYSA-N
XLogP-1.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,5-dimethyl-1H-pyrazole;ethanol
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3,5-dimethyl-1H-pyrazole;pyridine
CID 174790538
3,3-dimethylbutan-2-one;3,5-dimethyl-1H-pyrazole
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chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium)
CID 6395787
dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)
CID 6395258
3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine
CID 159490451
3-iodo-5-methyl-1H-pyrazole;hydrochloride
CID 74889763
3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
CID 12560600
4-chloro-3,5-dimethyl-1H-pyrazole;3,5-dimethyl-1H-pyrazole;pentane-2,4-dione;propan-2-one
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Frequently Asked Questions

What is the IUPAC name of sodium;3,5-dimethyl-1H-pyrazole;hydride?
The IUPAC name of sodium;3,5-dimethyl-1H-pyrazole;hydride (CID 174789543) is sodium;3,5-dimethyl-1H-pyrazole;hydride.
What is the SMILES notation for sodium;3,5-dimethyl-1H-pyrazole;hydride?
The canonical SMILES for sodium;3,5-dimethyl-1H-pyrazole;hydride is Cc1cc(C)[nH]n1.[H-].[Na+].
What is the InChIKey of sodium;3,5-dimethyl-1H-pyrazole;hydride?
The InChIKey is WJTNOEPDVKVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.Na.H/c1-4-3-5(2)7-6-4;;/h3H,1-2H3,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;3,5-dimethyl-1H-pyrazole;hydride?
sodium;3,5-dimethyl-1H-pyrazole;hydride has a molecular weight of 120.13 g/mol, XLogP of -1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,5-dimethyl-1H-pyrazole;hydride is sourced from PubChem (CID 174789543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).