[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone

C18H15ClN4O — CID 155549812

IUPAC[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCn2nc(-c3ccc(Cl)cn3)cc2C1
InChIInChI=1S/C18H15ClN4O/c19-14-6-7-16(20-11-14)17-10-15-12-22(8-9-23(15)21-17)18(24)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyRKXRNAFXGHRWNP-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.25
Rot. Bonds2

About [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone

[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone (PubChem CID 155549812) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
PubChem CID155549812
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCn2nc(-c3ccc(Cl)cn3)cc2C1
InChIInChI=1S/C18H15ClN4O/c19-14-6-7-16(20-11-14)17-10-15-12-22(8-9-23(15)21-17)18(24)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyRKXRNAFXGHRWNP-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 [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
The IUPAC name of [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone (CID 155549812) is [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
The canonical SMILES for [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone is O=C(c1ccccc1)N1CCn2nc(-c3ccc(Cl)cn3)cc2C1.
What is the InChIKey of [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
The InChIKey is RKXRNAFXGHRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-6-7-16(20-11-14)17-10-15-12-22(8-9-23(15)21-17)18(24)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2.
What are the key properties of [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone 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 [2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone is sourced from PubChem (CID 155549812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).