5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine

C9H12FN3 — CID 126782198

IUPAC5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C9H12FN3/c10-8-2-1-5-13(6-8)7-9-3-4-11-12-9/h2-4H,1,5-7H2,(H,11,12)
InChIKeySRZMKBKQXINCHP-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.47
Rot. Bonds2

About 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 126782198) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID126782198
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C9H12FN3/c10-8-2-1-5-13(6-8)7-9-3-4-11-12-9/h2-4H,1,5-7H2,(H,11,12)
InChIKeySRZMKBKQXINCHP-UHFFFAOYSA-N
XLogP1.47
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine (CID 126782198) is 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine is FC1=CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SRZMKBKQXINCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-2-1-5-13(6-8)7-9-3-4-11-12-9/h2-4H,1,5-7H2,(H,11,12).
What are the key properties of 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 181.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126782198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).