2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine

C14H14F3N5O — CID 137062103

IUPAC2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
SMILESCOCCCn1nccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1
InChIInChI=1S/C14H14F3N5O/c1-23-6-2-5-22-11(3-4-19-22)13-20-9-7-12(14(15,16)17)18-8-10(9)21-13/h3-4,7-8H,2,5-6H2,1H3,(H,20,21)
InChIKeyXWLBYYZEPXZSQD-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine

2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 137062103) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
PubChem CID137062103
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
SMILESCOCCCn1nccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1
InChIInChI=1S/C14H14F3N5O/c1-23-6-2-5-22-11(3-4-19-22)13-20-9-7-12(14(15,16)17)18-8-10(9)21-13/h3-4,7-8H,2,5-6H2,1H3,(H,20,21)
InChIKeyXWLBYYZEPXZSQD-UHFFFAOYSA-N
XLogP2.88
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine (CID 137062103) is 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine is COCCCn1nccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1.
What is the InChIKey of 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is XWLBYYZEPXZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-23-6-2-5-22-11(3-4-19-22)13-20-9-7-12(14(15,16)17)18-8-10(9)21-13/h3-4,7-8H,2,5-6H2,1H3,(H,20,21).
What are the key properties of 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine?
2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 325.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropyl)pyrazol-3-yl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137062103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).