4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine

C15H20N4 — CID 77465277

IUPAC4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCCCC(C)n1cc(C2C=CN=C3NC=CC32)cn1
InChIInChI=1S/C15H20N4/c1-3-4-11(2)19-10-12(9-18-19)13-5-7-16-15-14(13)6-8-17-15/h5-11,13-14H,3-4H2,1-2H3,(H,16,17)
InChIKeyKGNPMLDJCQIQBW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds4

About 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine

4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 77465277) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID77465277
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCCCC(C)n1cc(C2C=CN=C3NC=CC32)cn1
InChIInChI=1S/C15H20N4/c1-3-4-11(2)19-10-12(9-18-19)13-5-7-16-15-14(13)6-8-17-15/h5-11,13-14H,3-4H2,1-2H3,(H,16,17)
InChIKeyKGNPMLDJCQIQBW-UHFFFAOYSA-N
XLogP2.99
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 77465277) is 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine is CCCC(C)n1cc(C2C=CN=C3NC=CC32)cn1.
What is the InChIKey of 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KGNPMLDJCQIQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-4-11(2)19-10-12(9-18-19)13-5-7-16-15-14(13)6-8-17-15/h5-11,13-14H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentan-2-ylpyrazol-4-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 77465277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).