4-propan-2-yloxy-1H-pyrazol-1-ium

C6H11N2O+ — CID 21398052

IUPAC4-propan-2-yloxy-1H-pyrazol-1-ium
SMILESCC(C)OC1=C[NH2+]N=C1
InChIInChI=1S/C6H10N2O/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)/p+1
InChIKeyODRMTHIVUDIHMC-UHFFFAOYSA-O
MW127.17 g/mol
LogP-0.18
Rot. Bonds2

About 4-propan-2-yloxy-1H-pyrazol-1-ium

4-propan-2-yloxy-1H-pyrazol-1-ium (PubChem CID 21398052) has the molecular formula C6H11N2O+ and a molecular weight of 127.17 g/mol. Its IUPAC name is 4-propan-2-yloxy-1H-pyrazol-1-ium.

Molecular Properties

Compound Name4-propan-2-yloxy-1H-pyrazol-1-ium
PubChem CID21398052
Molecular FormulaC6H11N2O+
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name4-propan-2-yloxy-1H-pyrazol-1-ium
SMILESCC(C)OC1=C[NH2+]N=C1
InChIInChI=1S/C6H10N2O/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)/p+1
InChIKeyODRMTHIVUDIHMC-UHFFFAOYSA-O
XLogP-0.18
TPSA38.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1H-pyrazol-1-ium?
The IUPAC name of 4-propan-2-yloxy-1H-pyrazol-1-ium (CID 21398052) is 4-propan-2-yloxy-1H-pyrazol-1-ium.
What is the SMILES notation for 4-propan-2-yloxy-1H-pyrazol-1-ium?
The canonical SMILES for 4-propan-2-yloxy-1H-pyrazol-1-ium is CC(C)OC1=C[NH2+]N=C1.
What is the InChIKey of 4-propan-2-yloxy-1H-pyrazol-1-ium?
The InChIKey is ODRMTHIVUDIHMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2O/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)/p+1.
What are the key properties of 4-propan-2-yloxy-1H-pyrazol-1-ium?
4-propan-2-yloxy-1H-pyrazol-1-ium has a molecular weight of 127.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1H-pyrazol-1-ium is sourced from PubChem (CID 21398052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).