1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium

C12H18N3+ — CID 177116421

IUPAC1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium
SMILESCC(C)n1c2ccncc2c[n+]1C(C)C
InChIInChI=1S/C12H18N3/c1-9(2)14-8-11-7-13-6-5-12(11)15(14)10(3)4/h5-10H,1-4H3/q+1
InChIKeyVURIEEUCZXBUNM-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.49
Rot. Bonds2

About 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium

1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium (PubChem CID 177116421) has the molecular formula C12H18N3+ and a molecular weight of 204.30 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium.

Molecular Properties

Compound Name1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium
PubChem CID177116421
Molecular FormulaC12H18N3+
Molecular Weight204.30 g/mol
Exact Mass204.15
IUPAC Name1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium
SMILESCC(C)n1c2ccncc2c[n+]1C(C)C
InChIInChI=1S/C12H18N3/c1-9(2)14-8-11-7-13-6-5-12(11)15(14)10(3)4/h5-10H,1-4H3/q+1
InChIKeyVURIEEUCZXBUNM-UHFFFAOYSA-N
XLogP2.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium?
The IUPAC name of 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium (CID 177116421) is 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium.
What is the SMILES notation for 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium?
The canonical SMILES for 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium is CC(C)n1c2ccncc2c[n+]1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium?
The InChIKey is VURIEEUCZXBUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N3/c1-9(2)14-8-11-7-13-6-5-12(11)15(14)10(3)4/h5-10H,1-4H3/q+1.
What are the key properties of 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium?
1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium has a molecular weight of 204.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium is sourced from PubChem (CID 177116421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).