(3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

C18H15ClN4O — CID 155527447

IUPAC(3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCn2nc(-c3ccccn3)cc2C1
InChIInChI=1S/C18H15ClN4O/c19-14-5-3-4-13(10-14)18(24)22-8-9-23-15(12-22)11-17(21-23)16-6-1-2-7-20-16/h1-7,10-11H,8-9,12H2
InChIKeyWZVOSJQGHHNYCR-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.25
Rot. Bonds2

About (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

(3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 155527447) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID155527447
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name(3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCn2nc(-c3ccccn3)cc2C1
InChIInChI=1S/C18H15ClN4O/c19-14-5-3-4-13(10-14)18(24)22-8-9-23-15(12-22)11-17(21-23)16-6-1-2-7-20-16/h1-7,10-11H,8-9,12H2
InChIKeyWZVOSJQGHHNYCR-UHFFFAOYSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 155527447) is (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is O=C(c1cccc(Cl)c1)N1CCn2nc(-c3ccccn3)cc2C1.
What is the InChIKey of (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is WZVOSJQGHHNYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-5-3-4-13(10-14)18(24)22-8-9-23-15(12-22)11-17(21-23)16-6-1-2-7-20-16/h1-7,10-11H,8-9,12H2.
What are the key properties of (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
(3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 338.80 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 155527447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).