4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine

C18H20N4 — CID 166994263

IUPAC4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine
SMILESCn1ccc2c(-c3cn(C4CCC4)nc3C3CC3)nccc21
InChIInChI=1S/C18H20N4/c1-21-10-8-14-16(21)7-9-19-18(14)15-11-22(13-3-2-4-13)20-17(15)12-5-6-12/h7-13H,2-6H2,1H3
InChIKeyLUTILXVMYBOAGX-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.04
Rot. Bonds3

About 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine

4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine (PubChem CID 166994263) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine
PubChem CID166994263
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine
SMILESCn1ccc2c(-c3cn(C4CCC4)nc3C3CC3)nccc21
InChIInChI=1S/C18H20N4/c1-21-10-8-14-16(21)7-9-19-18(14)15-11-22(13-3-2-4-13)20-17(15)12-5-6-12/h7-13H,2-6H2,1H3
InChIKeyLUTILXVMYBOAGX-UHFFFAOYSA-N
XLogP4.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine (CID 166994263) is 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine is Cn1ccc2c(-c3cn(C4CCC4)nc3C3CC3)nccc21.
What is the InChIKey of 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
The InChIKey is LUTILXVMYBOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-10-8-14-16(21)7-9-19-18(14)15-11-22(13-3-2-4-13)20-17(15)12-5-6-12/h7-13H,2-6H2,1H3.
What are the key properties of 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine has a molecular weight of 292.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 166994263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).