4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

C15H16N4 — CID 163546813

IUPAC4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC/C=C\Cc1cn(-c2ccnc3[nH]ccc23)nc1C
InChIInChI=1S/C15H16N4/c1-3-4-5-12-10-19(18-11(12)2)14-7-9-17-15-13(14)6-8-16-15/h3-4,6-10H,5H2,1-2H3,(H,16,17)/b4-3-
InChIKeyFFSHVQIIJXMHLZ-ARJAWSKDSA-N
MW252.32 g/mol
LogP3.18
Rot. Bonds3

About 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 163546813) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID163546813
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC/C=C\Cc1cn(-c2ccnc3[nH]ccc23)nc1C
InChIInChI=1S/C15H16N4/c1-3-4-5-12-10-19(18-11(12)2)14-7-9-17-15-13(14)6-8-16-15/h3-4,6-10H,5H2,1-2H3,(H,16,17)/b4-3-
InChIKeyFFSHVQIIJXMHLZ-ARJAWSKDSA-N
XLogP3.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 163546813) is 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is C/C=C\Cc1cn(-c2ccnc3[nH]ccc23)nc1C.
What is the InChIKey of 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FFSHVQIIJXMHLZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-4-5-12-10-19(18-11(12)2)14-7-9-17-15-13(14)6-8-16-15/h3-4,6-10H,5H2,1-2H3,(H,16,17)/b4-3-.
What are the key properties of 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163546813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).