4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C17H15N3 — CID 70691972

IUPAC4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESc1ccc(-n2cc(-c3ccnc4c3CCC4)cn2)cc1
InChIInChI=1S/C17H15N3/c1-2-5-14(6-3-1)20-12-13(11-19-20)15-9-10-18-17-8-4-7-16(15)17/h1-3,5-6,9-12H,4,7-8H2
InChIKeyOIYPWANIGOZDRG-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.42
Rot. Bonds2

About 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 70691972) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID70691972
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESc1ccc(-n2cc(-c3ccnc4c3CCC4)cn2)cc1
InChIInChI=1S/C17H15N3/c1-2-5-14(6-3-1)20-12-13(11-19-20)15-9-10-18-17-8-4-7-16(15)17/h1-3,5-6,9-12H,4,7-8H2
InChIKeyOIYPWANIGOZDRG-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 70691972) is 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is c1ccc(-n2cc(-c3ccnc4c3CCC4)cn2)cc1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is OIYPWANIGOZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-5-14(6-3-1)20-12-13(11-19-20)15-9-10-18-17-8-4-7-16(15)17/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 261.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 70691972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).