(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone

C10H12FN3O — CID 126787976

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H12FN3O/c1-7-9(5-12-13-7)10(15)14-4-2-3-8(11)6-14/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKeyLLYJRUQHPBJBIS-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.42
Rot. Bonds1

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 126787976) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID126787976
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H12FN3O/c1-7-9(5-12-13-7)10(15)14-4-2-3-8(11)6-14/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKeyLLYJRUQHPBJBIS-UHFFFAOYSA-N
XLogP1.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone (CID 126787976) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is LLYJRUQHPBJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-7-9(5-12-13-7)10(15)14-4-2-3-8(11)6-14/h3,5H,2,4,6H2,1H3,(H,12,13).
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 209.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126787976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).