1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine

C8H11N3 — CID 66882589

IUPAC1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine
SMILESC1=CN(c2ccn[nH]2)CCC1
InChIInChI=1S/C8H11N3/c1-2-6-11(7-3-1)8-4-5-9-10-8/h2,4-6H,1,3,7H2,(H,9,10)
InChIKeyJTMREYIZVRSBKK-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.52
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine

1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine (PubChem CID 66882589) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine
PubChem CID66882589
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine
SMILESC1=CN(c2ccn[nH]2)CCC1
InChIInChI=1S/C8H11N3/c1-2-6-11(7-3-1)8-4-5-9-10-8/h2,4-6H,1,3,7H2,(H,9,10)
InChIKeyJTMREYIZVRSBKK-UHFFFAOYSA-N
XLogP1.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine (CID 66882589) is 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine is C1=CN(c2ccn[nH]2)CCC1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is JTMREYIZVRSBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-6-11(7-3-1)8-4-5-9-10-8/h2,4-6H,1,3,7H2,(H,9,10).
What are the key properties of 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine?
1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 149.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 66882589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).