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

C11H14FN3O — CID 132970437

IUPAC(4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC=C(F)C2)c1C
InChIInChI=1S/C11H14FN3O/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(12)6-15/h4H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyCMMVZBYRHXUHNU-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds1

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

(4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 132970437) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID132970437
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name(4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC=C(F)C2)c1C
InChIInChI=1S/C11H14FN3O/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(12)6-15/h4H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyCMMVZBYRHXUHNU-UHFFFAOYSA-N
XLogP1.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 132970437) is (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1[nH]nc(C(=O)N2CCC=C(F)C2)c1C.
What is the InChIKey of (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is CMMVZBYRHXUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(12)6-15/h4H,3,5-6H2,1-2H3,(H,13,14).
What are the key properties of (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 132970437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).