3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C16H17FN4O — CID 71995749

IUPAC3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2cnn(-c3ccc(F)cc3)c2)N2CCCCC12
InChIInChI=1S/C16H17FN4O/c17-12-4-6-13(7-5-12)21-10-11(9-18-21)15-19-16(22)14-3-1-2-8-20(14)15/h4-7,9-10,14-15H,1-3,8H2,(H,19,22)
InChIKeyMAFULVJRLNNVPN-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.99
Rot. Bonds2

About 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 71995749) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID71995749
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2cnn(-c3ccc(F)cc3)c2)N2CCCCC12
InChIInChI=1S/C16H17FN4O/c17-12-4-6-13(7-5-12)21-10-11(9-18-21)15-19-16(22)14-3-1-2-8-20(14)15/h4-7,9-10,14-15H,1-3,8H2,(H,19,22)
InChIKeyMAFULVJRLNNVPN-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 71995749) is 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is O=C1NC(c2cnn(-c3ccc(F)cc3)c2)N2CCCCC12.
What is the InChIKey of 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is MAFULVJRLNNVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-4-6-13(7-5-12)21-10-11(9-18-21)15-19-16(22)14-3-1-2-8-20(14)15/h4-7,9-10,14-15H,1-3,8H2,(H,19,22).
What are the key properties of 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 300.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 71995749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).